Nužan preduvjet je da je rad već objavljen u jednom od repozitorija:

  • sustavu CROSBI (Hrvatske znanstvene bibliografije), ili
  • digitalnom repozitoriju u sustavu Dabar.

Prijava objavljenih radova se obavlja na stranici za prijavu za korištenje računalnog klastera Isabella , na linku "Prijava rada":

Prijava objavljenog rada u aplikaciji za prijave za korištenje računalnog klastera Isabella

Prijava se sastoji od unošenja sljedećih podataka:

  • CROSBI identifikator ili Adresa za citiranje (ili URN:NBN) u Dabru
  • Korišteni resurs - odabrati Isabella i ime istraživačkog projekta, završnog rada ili disertacije ili praktične nastave u okviru kojeg je rad nastao.

Popis radova

NaslovAutoriDOIISSN ili ISBNGodinaCasopis, knjiga, konferencijaSvezakIzdanjeStranice
Structure prediction of physiological bis(amino acidato)copper(II) species in aqueous solution: The copper(II) compounds with L-glutamine and L-histidineRamek, Michael; Sabolović, Jasminahttps://doi.org/10.1016/j.jinorgbio.2023.1124300162-01342024Journal of inorganic biochemistry2512str. 112430/1-18
Let’s Talk about Sex Hormone Receptors and Their Physical Interaction with Sonic Hedgehog Protein: A Computational Study with Emphasis on Progesterone ReceptorTomić, Antonija; Čonkaš, Josipa; Ozretić, Petar10.3390/app14020562
2024Applied sciences (Basel)142
Aluminum(III) complexes of aroylhydrazones derived from nicotinic acid hydrazide: MS, UV-Vis and DFT studyKlarić, David; Pilepić, Viktor; Kontrec, Darko; Budimir,Ana; Galić, Nives
0095-89722024Journal of coordination chemistry


Insight into the degradation of amino substituted benzimidazo[1,2-a]quinolines via a combined experimental and density functional theory studyTolić Čop, Kristina; Perin, Nataša; Hranjec, Marijana; Runje, Mislav; Vianello, Robert; Gazivoda Kraljević, Tatjana; Mutavdžić Pavlović, Dragana10.1016/j.jpba.2023.1157670731-70852024Journal of pharmaceutical and biomedical analysis237
115767, 12
An Atomic-Level Perspective on the interactions between Organic Pollutants and PET particles: A Comprehensive Computational InvestigationPulitika, Anamarija; Karamanis, Panaghiotis; Kovačić, Marin; Lončarić Božić, Ana; Kušić, Hrvoje10.1002/cphc.2023008541439-42352024ChemPhysChem255e202300854, 13
Accounting journal entries as a long-term multivariate time series: Forecasting wholesale warehouse outputŽupan, Mario10.1002/isaf.15511550-19492024Intelligent systems in accounting, finance and management311e1551, 17
Experimental and computational insights into the mechanism of destabilization of poly(acrylic acid)-capped silver nanoparticles induced by weak conjugate basesKovačić, Marin; Ivanišević, Irena; Ressler, Antonia; Karamanis, Panaghiotis10.1016/j.colsurfa.2024.1337390927-77572024Colloids and surfaces. A, Physicochemical and engineering aspects6905133739, 11
Solid-State Synthesis of B←N Adducts by the Amine-Facilitated Trimerization of the Phenylboronic AcidPajić, Mario; Juribašić Kulcsar, Marina10.1002/chem.2024001900947-65392024Chemistry : a European journal


Raznolikost i ishrana lažipauka (Opiliones) u višegodišnjim mediteranskim agroekosustavimaPaula Šašić

2023



Sinteza, karakterizacija i termička transformacija novih stiril-heterocikla te kvantno-kemijska studija mehanizma reakcijeMonika Znika

2023



Trofički odnosi pauka u mediteranskim maslinicima i vinogradima analizirani metodom DNA metabarkodiranjaBarbara Anđelić Dmitrović

2023



Influence of Mutations of Conserved Arginines on Neuropeptide Binding in the DPP III Active SiteTomić, Antonija ; Karačić, Zrinka ; Tomić, Sanja10.3390/molecules28041976
2023Molecules2841976, 17
Molecular Modeling Study of Sonic Hedgehog Protein Interaction with Sex Hormone ReceptorsTomić, Antonija; Ozretić, Petar

2023


str. 24-24
The ESSnuSB Design Study: Overview and Future ProspectsGhosh, Manojit; Halić, Leon; Kliček, Budimir; Krhač Kaja; Stipčević, Mario; et al

2023Universe98str. 1-19
Particle physics at the European Spallation SourceGhosh, Manojit; Halic, Leon; Klicek, Budimir; Stipcevic, Mario
0370-15732023Physics reports10230str. 1-84
Selective Deuteration Improves the Affinity of Adenosine A2A Receptor Ligands: A Computational Case Study with Istradefylline and CaffeineHok, Lucija ; Vianello, Robert10.1021/acs.jcim.3c004241549-95962023Journal of chemical information and modeling6310str. 3138-3149
Synthesis and spectroscopic characterization of multifunctional D-π-A benzimidazole derivatives as potential pH sensorsBeč, Anja ; Vianello, Robert ; Hranjec, Marijana10.1016/j.molliq.2023.1224930167-73222023Journal of molecular liquids386
122493, 11
Biological evaluation of novel amidino substituted coumarin-benzazole hybrids as promising therapeutic agentsBeč, Anja ; Racane, Livio ; Žonja, Lucija ; Persoons, Leentje ; Daelemans, Dirk ; Starčević, Kristina ; Vianello, Robert ; Hranjec, Marijana10.1039/D3MD00055A2632-86822023
14
str. 957-968
Analog to the pion decay constant in the multiflavor Schwinger modelNieto Castellanos, Jaime Fabián; Hip, Ivan; Bietenholz, Wolfgang;10.1103/PhysRevD.108.0945032470-00102023Physical review. D1089str. 094503-1-10
Hydrogen Bonds as Stability-Controlling Elements of Spherical Aggregates of ZnO Nanoparticles: A Joint Experimental and Theoretical ApproachŠarić, Ankica; Despotović, Ines10.3390/ma16134843
2023Materials1613str. 4843-15
Mechanistic insights into the thermal transformations of heterocyclic o-distyrylbenzenes: an experimental and computational studyLovrinčević, Vilma; Vuk, Dragana; Škorić, Irena; Despotović, Ines10.1039/d3nj02245e1144-05462023New journal of chemistry4738str. 17937-17950
Insight into Trophic Interactions of Spiders in Olive Groves with Integrated and Ecological Pest Management Using DNA MetabarcodingAnđelić Dmitrović, Barbara; Gajski, Domagoj; Kos, Tomislav; Jelić, Mišel; Šerić Jelaska, Lucijahttps://doi.org/10.3390/d15090976
2023Diversity159976, 10
Lithium adsorption on the interface of graphene/boron nitride nanoribbonsPajtler, Maja Varga ; Lukačević, Igor ; Dušić, Vanja ; Mužević, Matko10.1007/s10853-023-08292-y0022-24612023Journal of materials science58
str. 4513-4524
Identifying surface phonons in the vibrational spectra of carbonated apatite using density functional theoryŽivković, Aleksandar ; Gemeri, Dejan ; Bahmann, Hilke ; Lukačević, Igor ; King, Helen E.https://doi.org/10.1016/j.mtcomm.2023.106596
2023Materials today communications36
str. 106596-106609
The optical properties of strontium manganite thin films prepared by novel phototreatment techniqueŽužić, Andreja ; Gracin, Davor ; Zubak, Marko ; Macan, Jelena ; Salamon, Krešimir ; Juraić, Krunoslav ; Krstulović, Nikša ; Radičić, Rafaela ; Lukačević, Igor ; Mužević, Matko ; Gajović, Andreja10.1016/j.jallcom.2023.1699720925-83882023Journal of alloys and compounds951
169972, 8
Potential of AMnO3 (A = Ca, Sr, Ba, La) as Active Layer in Inorganic Perovskite Solar CellsMužević, Matko ; Lukačević, Igor ; Kovač, Ivan ; Gracin, Davor ; Žužić, Andreja ; Macan, Jelena ; Varga Pajtler, Maja10.1002/cphc.2022008371439-42352023ChemPhysChem9
202200837, 9
Structural Determination of the Hexacoordinated [Zn(L)2]2+ Complex Isomer Type Using Solution- State NMR, DFT Calculations and X-ray CrystallographyPerić Berislav, Pantalon Juraj Natalija, Štefanić Zoran, Kirin Srećko I.10.3390/cryst13010016
2023Crystals13
-
Potential of AMnO3 (A = Ca, Sr, Ba, La) as Active Layer in Inorganic Perovskite Solar CellsMužević Matko, Lukačević Igor, Kovač Ivan, Gracin Davor, Žužić Andreja, Macan Jelena, Varga Pajtler Maja

2023ChemPhysChem

-
Quantum ContextualityPavičić Mladen10.22331/q-2023-03-17-953
2023Quantum7953953-1
High Performance Computing Reinforcement Learning Framework for Power System ControlDamjanović Ivana, Pavić Ivica, Brčić Mario, Jerčić Roko10.1109/ISGT51731.2023.10066416
20232023 IEEE Power & Energy Society Innovative Smart Grid Technologies Conference (ISGT)

1-5
Charge carrier dynamics across the metal oxide/BaTiO3 interfaces toward photovoltaic applications from the theoretical perspectiveKovač Ivan, Mužević Matko, Varga Pajtler Maja, Lukačević Igor10.1016/j.surfin.2023.102974
2023Surfaces and interfaces39
102974-102981
The optical properties of strontium manganite thin films prepared by novel phototreatment techniqueŽužić Andreja, Gracin Davor, Zubak Marko, Macan Jelena, Salamon Krešimir, Juraić Krunoslav, Krstulović Nikša, Radičić Rafaela, Lukačević Igor, Mužević Matko, Gajović Andreja10.1016/j.jallcom.2023.1699720925-83882023Journal of alloys and compounds951
-
Lithium adsorption on the interface of graphene/boron nitride nanoribbonsPajtler Maja Varga, Lukačević Igor, Dušić Vanja, Mužević Matko10.1007/s10853-023-08292-y
2023Journal of Materials Science

-
Synthesis, photochemistry, computational study and potential application of new styryl-thiophene and naphtho-thiophene benzylaminesMlakić Milena, Odak Ilijana, Faraho Ivan, Bosnar Martina, Banjanac Mihailo, Lasić Zlata, Marinić Željko, Barić Danijela, Škorić Irena10.3390/ijms24010610
2023International journal of molecular sciences241-
New thienobenzo/naphtho-triazoles as butyrylcholinesterase inhibitors. Design, synthesis and computational studyMlakić Milena, Selec Ida, Ćaleta Irena, Odak Ilijana, Barić Danijela, Ratković Ana, Molčanov Krešimir, Škorić Irena10.3390/ijms24065879
2023International journal of molecular sciences246-
Thieno-thiazolostilbenes, thienobenzo-thiazoles and naphtho-oxazoles: Computational study and cholinesterase inhibitory activityMlakić Milena, Đurčević Ema, Odak Ilijana, Barić Danijela, Juričević Ines, Šagud Ivana, Burčul Franko, Lasić Zlata, Marinić Željko, Škorić Irena10.3390/molecules28093781
2023Molecules289-
Plastic and genomic change of a newly established lizard population following a founder eventSabolić, Iva; Mira, Óscar; Brandt, Débora Y. C.; Lisičić, Duje; Stapley, Jessica; Novosolov, Maria; Bakarić, Robert; Cizelj, Ivan; Glogoški, Marko; Hudina, Tomislav; Taverne, Maxime; Allentoft, Morten E., Nielsen, Rasmus; Herrel, Anthony; Štambuk, Anamariahttps://doi.org/10.1111/mec.172550962-10832023Molecular ecology


Deuteration of Pd-activated C(sp2)–H bonds in the solid stateBjelopetrović, Alen; Barišić, Dajana; Juribašić Kulcsar, Marina; Halasz, Ivan; Ćurić, Manda; Lukin, Stipe10.1039/D3QI00932G2052-15452023Inorganic chemistry frontiers1020str. 6005-6014
Adjustable Pheromone Reinforcement Strategies for Problems with Efficient Heuristic InformationIvković, Nikola ; Kudelić, Robert ; Golub, Marin10.3390/a16050251
2023Algorithms165251, 21
FTIR spectroscopy and molecular level insight of diluted aqueous solutions of acetic acidPem, Barbara; Brkljača, Zlatko; Philippe, Alan; Schaumann, Gabriele E.; Vazdar, Mario; Bakarić, Danijela10.1016/j.saa.2023.1231351386-14252023Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy302
123135, 10
Cucurbit[8]uril Forms Tight Complexes with Cationic TriamantanesKing, David ; Šumanovac, Tatjana ; Murkli, Steven ; Schreiner, R. Peter ; Šekutor, Marina ; Isaacs, Lyle10.1039/d3nj00156c1144-05462023New journal of chemistry47
str. 5338-5346
Diamondoid ether clusters in helium nanodropletsAlić, Jasna ; Messner, Roman ; Alešković, Marija ; Küstner, Florian ; Rubčić, Mirta ; Lackner, Florian ; Wolfgang, E. Ernest ; Šekutor, Marina10.1039/D3CP00489A1463-90762023PCCP. Physical chemistry chemical physics25
str. 11951-11958
Nanostructured supramolecular networks from selfassembled diamondoid molecules at ultracold conditionsAlešković, Marija ; Küstner, Florian ; Messner, Roman ; Lackner, Florian ; Ernst, E. Wolfgang ; Šekutor, Marina10.1039/D3CP02367B1463-90762023PCCP. Physical chemistry chemical physics25
str. 17869-17876
Increasing complexity in adamantyl thioethers characterized by rotational spectroscopyPinacho, Pablo; Loru, Donatella; Šumanovac Ramljak, Tatjana; Šekutor, Marina; Schnell, Melanie;10.1002/cphc.2023005611439-42352023ChemPhysChem2423str. e2023005-e2023005
Hosting of diamantane alcohols in water and hydrogen-bonded organic solvents: the (non-)classical hydrophobic effect†Usenik, Andrea; Alešković, Marija; Roca, Sunčica; Mrkuš, Iva; Šekutor, Marina; Požar, Josip10.1039/d3nj03097k1144-05462023New journal of chemistry202347str. 18745-18755
Copper–zinc/chitosan complex hydrogels: Rheological, degradation and biological propertiesLončarević, Andrea; Malbaša, Zoran; Kovačić, Marin; Ostojić, Karla; Angaïts, Ange; Skoko, Željko; Szpunar, Joanna; Urlić, Inga; Gallego Ferrer, Gloria; Rogina, Anamarija10.1016/j.ijbiomac.2023.1263730141-81302023International journal of biological macromolecules251
126373, 10
Proton affinity and gas phase basicity of diamandoid molecules: diamantane to C131H116Camacho-Mojica Dulce C., Ha Jong-Kwon, Min Seung Kyu, Vianello Robert, Ruoff Rodney S.10.1039/d1cp04177k1463-90762022PCCP. Physical chemistry chemical physics24
3470-3477
Spectroscopic and Computational Study of the Protonation Equilibria of Amino-Substituted benzo[b]thieno[2,3-b]pyrido[1,2-a]benzimidazoles as Novel pH-Sensing MaterialsPerin Nataša, Babić Darko, Kassal Petar, Čikoš Ana, Hranjec Marijana, Vianello Robert10.3390/chemosensors10010021
2022Chemosensors101-
Kompleksiranje metalnih kationa s polipiridinskim makrocikličkim sustavimaRebecca Mađarić

2022



Potentiometric Surfactant Sensor for Anionic Surfactants Based on 1,3-dioctadecyl-1H-imidazol- 3-ium tetraphenylborateSakač, Nikola ; Madunić-Čačić, Dubravka ; Marković , Dean ; Hok, Lucija ; Vianello, Robert ; Vrček, Valerije ; Šarkanj, Bojan ; Đurin, Bojan ; Della Ventura , Bartolomeo ; Velotta, Raffaele ; Jozanović, Marija10.3390/chemosensors10120523
2022Chemosensors1012523, 14
TROPHIC INTERACTIONS OF PREDATORY ARTHROPODS IN MEDITERRANEAN AGRICULTURE VIA DNA METABARCODING DIET ANALYSESŠerić Jelaska, Lucija; Anđelić Dmitrović, Barbara; Gajski, Domagoj
1848-55532022


str. 155-156
DNA metabarcoding revealed expected but also some exceptional prey species in the diet of carabid beetles in Mediterranean agricultureŠerić Jelaska, Lucija

2022


str. 720-720
Ground and above-ground spiders’ predatory choices: their biocontrol potential in Mediterranean vineyards and olive orchardsAnđelić, Barbara ; Gajski, Domagoj ; Šerić Jelaska, Lucija

2022


str. 9-9
Compositional stability of sediment microbial communities during a seagrass meadow declineMarkovski Marsej, Najdek Mirjana, Herndl Gerhard J., Korlević Marino10.3389/fmars.2022.966070
2022Frontiers in Marine Science9
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New insight in the 2-flavor Schwinger model based on lattice simulationsNieto Castellanos Jaime Fabián, Bietenholz Wolfgang, Hip Ivan10.31349/suplrevmexfis.3.020707
2022Joint Proceedings of the XXXV Annual Meeting DPyC- SMF & XIX Mexican School on Particles and Fields

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Finite temperature and delta-regime in the 2-flavor Schwinger modelHip Ivan, Nieto Castellanos Jaime Fabián, Bietenholz Wolfgang10.22323/1.396.0279
2022Proceedings of Science - Volume 396 - The 38th International Symposium on Lattice Field Theory (LATTICE2021)

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Deep Reinforcement Learning-Based Approach for Autonomous Power Flow Control Using Only Topology ChangesDamjanović Ivana, Pavić Ivica, Puljiz Mate, Brcic Mario10.3390/en15196920
2022Energies1519-
On Comprehension of Genetic Programming Solutions: A Controlled Experiment on Semantic InferenceSlivnik Boštjan, Kovačević Željko, Mernik Marjan, Kosar Tomaž10.3390/math10183386
2022Mathematics1018-
Surface Functionalisation of Dental Implants with a Composite Coating of Alendronate and Hydrolysed Collagen: DFT and EIS StudiesPetrović Željka, Šarić Ankica, Despotović Ines, Katić Jozefina, Peter Robert, Petravić Mladen, Ivanda Mile, Petković Marin10.3390/ma151551271996-19442022Materials1515-
Insight into the Growth Mechanism and Photocatalytic Behavior of Tubular Hierarchical ZnO Structures: An Integrated Experimental and Theoretical ApproachŠarić Ankica, Vrankić Martina, Lützenkirchen- Hecht Dirk, Despotović Ines, Petrović Željka, Dražić Goran, Eckelt Franz10.1021/acs.inorgchem.1c039050020-16692022Inorganic chemistry6162962-2979
Experimental and computation study of thermal transformations of thienyl and furyl o- divinylbenzenes in acidic mediaLovrinčević Vilma, Vuk Dragana, Despotović Ines

2022


81-81
Streptomyces coelicolor macrodomain hydrolase SCO6735 cleaves thymidine-linked ADP-ribosylation of DNAHloušek-Kasun Andrea, Mikolčević Petra, Matthias Rack Johannes Gregor, Tromans-Coia Callum, Schuller Marion, Jankevicius Gytis, Matković Marija, Bertoša Branimir, Ahel Ivan, Mikoč Andreja10.1016/j.csbj.2022.08.0024337-43502022Computational and Structural Biotechnology JournalVolume 20
4337-4350
Ferrocenoyl-adenines: substituent effects on regioselective acylationToma Mateja, Zubčić Gabrijel, Lapić Jasmina, Djaković Senka, Šakić Davor, Vrček Valerije10.3762/bjoc.18.1332195-951X2022Beilstein journal of organic chemistry18
1270-1277
Intriguing Chloride: Involvement of Chloride Ions in Proton TransfersPilepić Viktor, Jakobušić Brala Cvijeta, Uršić Stanko10.3390/molecules27041401
2022Molecules2714011-16
Zn(II) halide coordination compounds with imidazole and 2-methylimidazole. Structural and computational characterization of intermolecular interactions and disorderTašner Marina, Vušak Darko, Ivana Kekez, Gabud Andrea, Pilepić Viktor, Mrvoš-Sermek Draginja, Matković-Čalogović Dubravka10.1016/j.heliyon.2022.e111002405-84402022Heliyon8
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Design and synthesis of harmiquins, harmine and chloroquine hybrids as potent antiplasmodial agentsPoje Goran, Pessanha de Carvalho Lais, Held Jana, Moita Diana, Prudêncio Miguel, Perković Ivana, Tandarić Tana, Vianello Robert, Rajić Zrinka10.1016/j.ejmech.2022.1144080223-52342022European journal of medicinal chemistry238
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A series of nickel(II) thiocyanate complexes comprising various molar contents of isonicotinamide and water as ligands or co- crystallized moieties – an experimental and computational studyHok Lucija, Vianello Robert, Matković- Čalogović Dubravka, Karanović Ljiljana, Roca Sunčica, Jaźwiński Jarosław, Tašner Marina, Vušak Darko, Đaković Marijana, Popović Zora10.1039/d2ce00847e
2022CrystEngComm24376564-6578
Imidazo[4,5-b]pyridine derived tubulin polymerization inhibitors: Design, synthesis, biological activity in vitro and computational analysisBoček Ida, Hok Lucija, Persoons Leentje, Daelemans Dirk, Vianello Robert, Hranjec Marijana10.1016/j.bioorg.2022.1060320045-20682022Bioorganic chemistry127
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Seismic shaking scenarios for city of Dubrovnik, CroatiaLatečki Helena, Sečanj Marin, Dasović Iva, Stipčević Josip10.5194/egusphere-egu22-8291
2022


1-1
Effect of Functionalized Benzene Derivatives as Potential Hole Scavengers for BiVO4 and rGO-BiVO4 Photoelectrocatalytic Hydrogen EvolutionSharifi Tayebeh, Kovačić Marin, Belec Monika, Perović Klara, Popović Marin, Radić Gabrijela, Žener Boštjan, Pulitika Anamarija, Kraljić Roković Marijana, Lavrenčič Štangar Urška, Lončarić Božić Ana, Kušić Hrvoje10.3390/molecules27227806
2022Molecules2722-
Amphiphilic Silver Nanoparticles for Inkjet- Printable Conductive InksIvanišević Irena, Kovačić Marin, Zubak Marko, Ressler Antonia, Krivačić Sara, Katančić Zvonimir, Gudan Pavlović Iva, Kassal Petar10.3390/nano12234252
2022Nanomaterials1223-
A mononuclear iron(III) complex with unusual changes of color and magneto-structural properties with temperature: synthesis, structure, magnetization, multi-frequency ESR and DFT studyGarg Nitish Kumar, Goriya Yogesh, Manojveer Seetharaman, Muratović Senada, Pajić Damir, Cetina Mario, Petreska Irina, Krupskaya Yulia, Kataev Vladislav, Johnson Magnus T., Wendt Ola F., Žilić Dijana10.1039/D1DT03751J1477-92262022Dalton transactions5162338-2345
Unusual magnetism and thermochromism of mononuclear iron(III) complexGarg Nitish Kumar, Goriya Yogesh, Manojveer Seetharaman, Muratović Senada, Pajić Damir, Cetina Mario, Petreska Irina, Krupskaya Yulia, Kataev Vladislav, Johnson Magnus T., Wendt Ola F., Žilić Dijana

2022CPSM 2022 Book of Abstracts

9-9
Neuropeptides, substrates and inhibitors of human dipeptidyl peptidase III, experimental and computational study — A new substrate identifiedKaračić Zrinka, Šupljika Filip, Tomić Antonija, Brkljačić Lidija, Tomašić Paić Ana, Ćehić Mirsada, Tomić Sanja10.1016/j.ijbiomac.2022.09.1190141-81302022International journal of biological macromolecules220
1390-1401
Demystifying DPP III Catalyzed Peptide Hydrolysis— Computational Study of the Complete Catalytic Cycle of Human DPP III Catalyzed Tynorphin HydrolysisTomić Antonija, Tomić Sanja10.3390/ijms23031858
2022International journal of molecular sciences233-
Computational modelling an aid to understand binding and hydrolysis of neuropeptides in the active site of human DPP IIITomić Antonija, Karačić Zrinka, Šupljika Filip, Tomić Sanja

2022Book of abstracts of the 1st Central and Eastern European Conference on Physical Chemistry and Materials Science (CEEC-PCMS1)

196-196
Computational study of the human DPP III catalyzed peptide hydrolysis - difference between „good“ and „slow“ substrateTomić Antonija, Tomić Sanja

2022Math/Chem/Comp 2022 and 33rd MC2 Conference : Book of Abstracts

24-24
Gaussian field-based 3D-QSAR and molecular simulation studies to design potent pyrimidine–sulfonamide hybrids as selective BRAFV600E inhibitorsSingh Ankit Kumar, Novak Jurica, Kumar Adarsh, Singh Harshwardhan, Thareja Suresh, Pathak Prateek, Grishina Maria, Verma Amita, Yadav Jagat Pal, Khalilullah Habibullah, Pathania Vikas, Nandanwar Hemraj, Jaremko Mariusz, Emwas Abdul-Hamid, Kumar Pradeep10.1039/d2ra05751d
2022RSC Advances124630181-30200
Withasomniferol C, a new potential SARS-CoV-2 main protease inhibitor from the Withania somnifera plant proposed by in silico approachesKandagalla Shivananada, Rimac Hrvoje, Krishnamoorthy Gurushankar, Novak Jurica, Grishina Maria, Potemkin Vladimir10.7717/peerj.13374
2022PeerJ10
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On the propensity of formation of cyclobutane dimers in face-to-face and face-to-back uracil stacks in solutionMilovanović Branislav, Novak Jurica, Etinski Mihajlo, Domcke Wolfgang, Došlić Nađa10.1039/d2cp00495j1463-90762022PCCP. Physical chemistry chemical physics242414836-14845
Mixed Halide Ordering as a Tool for the Stabilization of Ruddlesden–Popper StructuresOvčar Juraj, Leung Tik Lun, Grisanti Luca, Skoko Željko, Vrankić Martina, Low Kam-Hung, Wang Shixun, You Pei-Ying, Ahn Hyeyoung, Lončarić Ivor, Djurišić Aleksandra B., Popović Jasminka10.1021/acs.chemmater.1c038150897-47562022Chemistry of materials34104286-4297
Preparation and Characterization of Non-Aromatic Ether Self-Assemblies on a HOPG SurfaceAlić Jasna, Biljan Ivana, Štefanić Zoran, Šekutor Marina10.1088/1361-6528/ac6e720957-44842022Nanotechnology3335-
Unravelling Binding Effects in Cyclodextrin Inclusion Complexes with Diamondoid Ammonium Salt GuestsAlešković Marija, Roca Sunčica, Jozepović Ruža, Bregović Nikola, Šekutor Marina10.1039/D2NJ00938B1144-05462022New journal of chemistry46
13406-13414
Reference-Guided De Novo Genome Assembly of the Flour Beetle Tribolium freemaniVolarić Marin, Despot-Slade Evelin, Veseljak Damira, Meštrović Nevenka, Mravinac Brankica10.3390/ijms23115869
2022International journal of molecular sciences2311-
Phylogeographic structure of common sage (Salvia officinalis L.) reveals microrefugia throughout the Balkans and colonizations of the ApenninesRadosavljević Ivan, Satovic Zlatko, di Pietro Romeo, Jug Dujaković Marija, Varga Filip, Škrtić Danijel, Liber Zlatko10.1038/s41598-022-20055-4
2022Scientific Reports12
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Gene flow between wild trees and cultivated varieties shapes the genetic structure of sweet chestnut (Castanea sativa Mill.) populationsTumpa Katarina, Šatović Zlatko, Liber Zlatko, Vidaković Antonio, Idžojtić Marilena, Ježić Marin, Ćurković-Perica Mirna, Poljak Igor10.1038/s41598-022-17635-9
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Intra- and Inter-Cultivar Variability of Lavandin (Lavandula × intermedia Emeric ex Loisel.) Landraces from the Island of Hvar, CroatiaJug-Dujaković Marija, Ninčević Runjić Tonka, Grdiša Martina, Liber Zlatko, Šatović Zlatko10.3390/agronomy12081864
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Quantum capacitance of multi-layered δ-6 borophene: A DFT studyKolavada Himalay, Singh Shilpa, Lukačević Igor, Gajjar P. N., Gupta Sanjeev K.10.1016/j.electacta.2022.1415890013-46862022Electrochimica acta439
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Density functional theory demonstrates orientation effects in the Raman spectra of hydroxy- and carbonated apatiteGemeri Dejan, Živković Aleksandar, Lukačević Igor, Bahmann Hilke, King Helen E.10.1002/jrs.6465
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Resveratrol-maltol and resveratrol-thiophene hybrids as cholinesterase inhibitors and antioxidants: Synthesis, bio-metal chelating capability and crystal structureMlakić Milena, Fodor Lajos, Odak Ilijana, Horváth Ottó, Lovrić Marija Jelena, Barić Danijela, Milašinović Valentina, Molčanov Krešimir, Marinić Željko, Lasić Zlata, Škorić Irena10.3390/molecules27196379
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New naphtho/thienobenzo-triazoles with interconnected anti-inflammatory and cholinesterase inhibitory activityMlakić Milena, Odak Ilijana, Faraho Ivan, Talić Stanislava, Bosnar Martina, Lasić Kornelija, Barić Danijela, Škorić Irena10.1016/j.ejmech.2022.1146160223-52342022European journal of medicinal chemistry241
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Negative catalysis by the editing domain of class I aminoacyl-tRNA synthetasesŽivković Igor, Ivković Kate, Cvetešić Nevena, Maršavelski Aleksandra, Gruić Sovulj Ita10.1093/nar/gkac2070305-10482022Nucleic acids research5074029-4041
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The European Spallation Source neutrino super-beam conceptual design reportAlekou A., Baussan E., Bhattacharyya A. K., Kraljevic N. Blaskovic, Blennow M., Bogomilov M., Bolling B., Bouquerel E., Buchan O., Burgman A., Carlile C. J., Cederkall J., Christiansen P., Collins M., Morales E. Cristaldo, Cupiał P., D’Alessi L., Danared H., Dancila D., de André J. P. A. M., Delahaye J. P., Dracos M., Efthymiopoulos I., Ekelöf T., Eshraqi M., Fanourakis G., Farricker A., Fernandez-Martinez E., Folsom B., Fukuda T., Gazis N., Gålnander B., Geralis Th., Ghosh M., Gokbulut G., Halić L., Jenssen M., Topaksu A. Kayis, Kildetoft B., Kliček B., Kozioł M., Krhač K., Łacny Ł., Lindroos M., Maiano C., Marrelli C., Martins C., Mezzetto M., Milas N., Oglakci M., Ohlsson T., Olvegård M., Ota T., Park J., Patrzalek D., Petkov G., Poussot P., Johansson R., Rosauro-Alcaraz S., Saiang D., Szybiński B., Snamina J., Sosa A. G., Stavropoulos G., Stipčević M., Tarkeshian R., Terranova F., Thomas J., Tolba T., Trachanas E., Tsenov R., Vankova-Kirilova G., Vassilopoulos N., Wildner E., Wurtz J., Zormpa O., Zou Y.10.1140/epjs/s11734-022-00664-w1951-63552022The European Physical Journal Special Topics
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Van der Waals five-body size-energy universalityStipanović Petar, Vranješ Markić Leandra, Boronat Jordi10.1038/s41598-022-13630-2
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Inhibitory effect of DMSO on halohydrin dehalogenase: Experimental and computational insights into the influence of an organic co-solvent on the structural and catalytic properties of a biocatalystMilčić Nevena, Stepanić Višnja, Crnolatac Ivo, Findrik Blažević Zvjezdana, Brkljača Zlatko, Majerić Elenkov Maja10.1002/chem.2022019230947-65392022Chemistry : a European journal2856-
Mechanistic Study of the Mechanochemical PdII- Catalyzed Bromination of Aromatic C–H bonds by Experimental and Computational methodsBarišić Dajana, Halasz Ivan, Bjelopetrović Alen, Babić Darko, Ćurić Manda10.1021/acs.organomet.1c006980276-73332022Organometallics41111284-1294
Resistance Coefficient Estimation for a Submarine’s Bare Hull Moving in Forward and Transverse DirectionsSaghi Hassan, Parunov Joško, Mikulić Antonio10.3390/app122110953
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The structure-activity relationship and computational studies of 1,3-thiazole derivatives as cholinesterase inhibitors with anti-inflammatory activityModrić Marina, Božičević Marin, Odak Ilijana, Talić Stanislava, Barić Danijela, Mlakić Milena, Raspudić Anamarija, Škorić Irena10.5802/crchim.2011631-07482022Comptes rendus. Chimie25
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Glucosamine to gold nanoparticles binding studied using Raman spectroscopyMohaček Grošev Vlasta, Brljafa Sandro, Škrabić Marko, Marić Ivan, Blažek Bregović Vesna, Amendola Vincenzo, Ropret Polona, Kvaček Blažević Anita10.1016/j.saa.2021.1203261386-14252022Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy264
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Raman study of water deposited in solid argon matrixMohaček Grošev Vlasta, Furić Krešimir, Vujnović Vedran10.1016/j.saa.2021.1207701386-14252022Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy269
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Pressure-induced and flaring photocatalytic diversity of ZnO particles hallmarked by finely tuned pathwaysVrankić Martina, Šarić Ankica, Nakagawa Takeshi, Ding Yang, Despotović Ines, Kanižaj Lidija, Ishii Hirofumi, Hiraoka Nozomu, Dražić Goran, Lützenkirchen-Hecht Dirk, Peter Robert, Petravić Mladen10.1016/j.jallcom.2021.1624440925-83882022Journal of Alloys and Compounds894
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Mjerenje performanci platforme Apache Beam u obradi prostorno vremenskih tokova podatakaAleksandar Novak

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Synthesis, photochemistry and computational study of novel 1,2,3-triazole heterostilbenes: expressed biological activity of their electrocyclization photoproductsMlakić Milena, Faraho Ivan, Odak Ilijana, Talić Stanislava, Vukovinski Ana, Raspudić Anamarija, Bosnar Martina, Zadravec Rahela, Ratković Ana, Lasić Kornelija, Marinić Željko, Barić Danijela, Škorić Irena10.1016/j.bioorg.2022.1057010045-20682022Bioorganic chemistry121
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COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymesHok Lucija, Rimac Hrvoje, Mavri Janez, Vianello Robert10.1016/j.csbj.2022.02.0202001-03702022Computational and Structural Biotechnology Journal20
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Adsorption of a wide variety of antibiotics on graphene-based nanomaterials: A modelling studyKern Matej, Škulj Sanja, Rožman Marko10.1016/j.chemosphere.2022.1340100045-65352022Chemosphere296
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Automatic compiler/interpreter generation from programs for Domain-Specific Languages: Code bloat problem and performance improvementKovačević Željko, Ravber Miha, Liu Shih-Hsi, Črepinšek Matej10.1016/j.cola.2022.1011052665-91822022Journal of Computer Languages70C
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Skaliranje energije i širine maločestičnih sustava u 2DIvna Baković

2021-09-24



3D physics-based seismic shaking scenarios for city of Zagreb, Capital of CroatiaLatečki Helena, Molinari Irene, Stipčević Josip10.1007/s10518-021-01227-51570-761X2021-09-17Bulletin of Earthquake Engineering19121-27
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N-substituted benzimidazole acrylonitriles as in vitro tubulin polymerization inhibitors: Synthesis, biological activity and computational analysisPerin Nataša, Hok Lucija, Beč Anja, Persoons Leentje, Vanstreels Els, Daelemans Dirk, Vianello Robert, Hranjec Marijana10.1016/j.ejmech.2020.1130030223-52342021European journal of medicinal chemistry211
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Self‐assembly of cobalt(II) coordination polymers with differently halosubstituted nicotinate ligands and 4,4’‐bipyridine – the effect of the halosubstituent positions on polymer typesHok Lucija, Lluch Sanchez Eloi, Vianello Robert, Kukovec Boris-Marko, Popović Zora10.1002/ejic.2021000551434-19482021European journal of inorganic chemistry2021151470-1480
Further investigation of harmicines as novel antiplasmodial agents: synthesis, structure-activity relationship and insight into the mechanism of actionMarinović Marina, Poje Goran, Perković Ivana, Fontinha Diana, Prudêncio Miguel, Held Jana, Pessanha de Carvalho Lais, Tandarić Tana, Vianello Robert, Rajić Zrinka10.1016/j.ejmech.2021.1136870223-52342021European journal of medicinal chemistry224
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Novel Bis- and Mono-Pyrrolo[2,3-d]pyrimidine and Purine Derivatives: Synthesis, Computational Analysis and Antiproliferative EvaluationBistrović Popov Andrea, Vianello Robert, Grbčić Petra, Sedić Mirela, Kraljević Pavelić Sandra, Pavelić Krešimir, Raić-Malić Silvana10.3390/molecules26113334
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Direct Metal-Free Transformation of Alkynes to Nitriles: Computational Evidence for the Precise Reaction MechanismHok Lucija, Vianello Robert10.3390/ijms22063193
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Understanding the human DPP iii substrate specificity : QM/MM and MD calculationsTomić Antonija, Tomić Sanja

2021Math/Chem/Comp 2021 : 32nd MC2 Conference : book of abstracts

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Glycerol as a Substrate and Inactivator of Coenzyme B12‐Dependent Diol DehydrataseBilić Luka, Barić Danijela, Sandala Gregory M, Smith David M., Kovačević Borislav10.1002/chem.2021004160947-65392021Chemistry : a European journal27297930-7941
Experimental and theoretical (ReaxFF) study of manganese-based catalysts for low-temperature toluene oxidationDuplančić Marina, Gomzi Vjeran, Pintar Albin, Kurajica Stanislav, Tomašić Vesna10.1016/j.ceramint.2020.09.1470272-88422021Ceramics international47
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Error Evaluation and Suitability Assessment of Common Reliability Methods in the Case of Shallow FoundationsDodigović Filip, Ivandić Krešo, Kovačević Meho Saša, Soldo Božo10.3390/app11020795
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Molecular Dynamics Simulations of Mitochondrial Uncoupling Protein 2Škulj Sanja, Brkljača Zlatko, Kreiter Jürgen, Pohl Elena E., Vazdar Mario10.3390/ijms22031214
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How Secure Are Two-Way Ping-Pong and LM05 QKD Protocols under a Man-in-the-Middle Attack?Pavičić Mladen10.3390/e23020163
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Chemistry and Reactivity of 4-hydroxy-2-nonenal (HNE) in Model Biological SystemsVazdar Katarina, Škulj Sanja, Bakarić Danijela, Margetić Davor, Vazdar Mario10.2174/13895575216662101051105381389-55752021Mini-reviews in medicinal chemistry21
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Sulfur molecules in space by X-rays: a computational studyBilalbegović Goranka, Maksimović Aleksandar, Valencic Lynne Ann, Lehtola Susi10.1021/acsearthspacechem.0c00238
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ANT1 Activation and Inhibition Patterns Support the Fatty Acid Cycling Mechanism for Proton TransportKreiter Jürgen, Rupprecht Anne, Škulj Sanja, Brkljača Zlatko, Žuna Kristina, Knyazev Denis G., Bardakji Sarah, Vazdar Mario, Pohl Elena E.10.3390/ijms22052490
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Modelling of the adsorption of pharmaceutically active compounds on carbon-based nanomaterialsIvanković Klaudija, Kern Matej, Rožman Marko10.1016/j.jhazmat.2021.1255540304-38942021Journal of hazardous materials414
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DFT‐PCM Study on Solvolytic Behaviour of N‐alkyl‐X‐pyridinium IonsMatić Mirela, Denegri Bernard10.1002/slct.202004231
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Sensing capabilities of ultrathin BaTiO3 nanostructures toward carbon oxides based on optical signals from the theoretical perspectiveLukačević Igor, Varga Pajtler Maja, Mužević Matko10.1016/j.matchemphys.2021.1244340254-05842021Materials chemistry and physics265
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Mechanism of formaldehyde and formic acid formation on (101)-TiO2@Cu4 systems through CO2 hydrogenationSingh Deobrat, Gupta Sanjeev K., Seriani Nicola, Lukačević Igor, Sonvane Yogesh, Gajjar P. N., Ahuja Rajeev10.1039/D0SE01587C
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Selective DNA and protein isolation from marine macrophyte surfacesKorlević Marino, Markovski Marsej, Zhao Zihao, Herndl Gerhard J., Najdek Mirjana10.3389/fmicb.2021.6659991664-302X2021Frontiers in microbiology12
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Synthesis and photochemistry of novel 1,2,3-triazole di-heterostilbenes. An experimental and computational studyRatković Ana, Mlakić Milena, Dehaen Wim, Opsomer Tomas, Barić Danijela, Škorić Irena10.1016/j.saa.2021.1200561386-14252021Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy261
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Unravelling the inhibitory zinc ion binding site and the metal exchange mechanism in human DPP IIITomić Antonija, Brkić Hrvoje, Matić Antonia, Tomić Sanja10.1039/D1CP01302E1463-90762021PCCP. Physical chemistry chemical physics23
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Mitochondrial Uncoupling Proteins (UCP1-UCP3) and Adenine Nucleotide Translocase (ANT1) Enhance the Protonophoric Action of 2,4-Dinitrophenol in Mitochondria and Planar Bilayer MembranesŽuna Kristina, Jovanović Olga, Khailova Ljudmila S., Škulj Sanja, Brkljača Zlatko, Kreiter Jürgen, Kotova Elena A., Vazdar Mario, Antonenko Yuri N. Antonenko, Pohl Elena E.10.3390/biom11081178
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Prediction of the kinetic stability of N-alkyl X-pyridinium ions in dichloromethaneMatić Mirela, Denegri Bernard10.1002/poc.42480894-32302021Journal of physical organic chemistry34
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Seasonal dynamics of epiphytic microbial communities on marine macrophyte surfacesKorlević Marino, Markovski Marsej, Zhao Zihao, Herndl Gerhard J., Najdek Mirjana10.3389/fmicb.2021.6713421664-302X2021Frontiers in microbiology12
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Differential enrichment of H3K9me3 at annotated satellite DNA repeats in human cell lines and during fetal development in mouseVojvoda Zeljko Tanja, Ugarković Đurđica, Pezer Željka10.1186/s13072-021-00423-6
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Molecular and evolutionary basis for survival, its failure, and virulence factors of the zoonotic nematode Anisakis pegreffiiTrumbić Željka, Hrabar Jerko, Palevich Nikola, Carbone Vincenzo, Mladineo Ivona10.1016/j.ygeno.2021.06.0320888-75432021Genomics11352891-2905
Understanding the conformational, electronic and vibrational properties of Tetrahydrocannabinol (THC) and Cannabidiol (CBD). Pharmacophoric similarities and differencesBaranović Goran10.1016/j.molstruc.2021.1309450022-28602021Journal of molecular structure1244
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Role of substituents in the Hofmann–Löffler–Freytag reaction. A quantum-chemical case study on nicotine synthesisShkunnikova Sofia, Zipse Hendrik, Šakić Davor10.1039/d0ob02187c1477-05202021Organic & biomolecular chemistry19
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Low-pressure chromatographic separation and UV/Vis spectrophotometric characterization of the native and desialylated human apo-transferrinFriganović Tomislav, Tomašić Antonela, Šeba Tino, Biruš Ivan, Kerep Robert, Borko Valentina, Šakić Davor, Gabričević Mario, Weitner Tin10.1016/j.heliyon.2021.e080302405-84402021Heliyon79-
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Combining Raman spectroscopy, DFT calculations and atomic force microscopy in the study of clinker materialsMohaček Grošev Vlasta, Đuroković Marija, Maksimović Aleksandar10.3390/ma14133648
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Uncovering the Electron‐Phonon Interplay and Dynamical Energy‐Dissipation Mechanisms of Hot Carriers in Hybrid Lead Halide PerovskitesChan Christopher C. S., Fan Kezhou, Wang Han, Huang Zhanfeng, Novko Dino, Yan Keyou, Xu Jianbin, Choy Wallace C. H., Lončarić Ivor, Wong Kam Sing10.1002/aenm.2020030711614-68322021Advanced Energy Materials119-
Microbiome of the Successful Freshwater Invader, the Signal Crayfish, and Its Changes along the Invasion RangeDragičević Paula, Bielen Ana, Petrić Ines, Vuk Marija, Žučko Jurica, Hudina Sandra10.1128/Spectrum.00389-21
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Combined NMR and Computational Study of Cysteine Oxidation during Nucleation of Metallic Clusters in Biological SystemsPem Barbara, Toma Mateja, Vrček Valerije10.1021/acs.inorgchem.1c003210020-16692021Inorganic chemistry6064144-4161
Photocatalytic degradation of imidacloprid in the flat-plate photoreactor under UVA and simulated solar irradiance conditions—The influence of operating conditions, kinetics and degradation pathwayBabić Kristina, Tomašić Vesna, Gilja Vanja, Le Cunff Jerome, Gomzi Vjeran, Pintar Albin, Žerjav Gregor, Kurajica Stanislav, Duplančić Marina, Zelić Ivana Elizabeta, Pavičić Tomislava Vukušić, Grčić Ivana10.1016/j.jece.2021.1056112213-34372021Journal of Environmental Chemical Engineering94-
ReaxFF force field development and application for toluene adsorption on MnMOx (M=Cu, Fe, Ni) catalystsGomzi Vjeran, Movre-Šapić Iva, Vidak Andrej

2021


41-41
Photodegradation of neonicotinoids on a TiO2-based photocatalysts - efficiency of reactive oxygen speciesDuplančić Marina, Zelić Ivana Elizabeta, Gomzi Vjeran, Tomašić Vesna, Carić Dejana, Žilić Dijana

202127th Croatian Meeting of Chemists and Chemical Engineers: Book of abstracts

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Grass pea natural variation reveals oligogenic resistance to Fusarium oxysporum f. sp. pisiSampaio Ana Margarida, Alves Mara Lisa, Pereira Priscila, Valiollahi Ehsan, Santos Carmen, Šatović Zlatko, Rubiales Diego, de Sousa Araújo Susana, van Eeuwijk Fred, Vaz Patto Maria Carlota10.1002/tpg2.201541940-33722021Plant Genome2021
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Accessing Ancestral Origin and Diversity Evolution by Net Divergence of an Ongoing Domestication Mediterranean Olive Tree VarietySales Hélia, Šatović Zlatko, Alves Mara Lisa, Fevereiro Pedro, Nunes João, Vaz Patto Maria Carlota10.3389/fpls.2021.688214
2021Frontiers in plant science12
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Genetic diversity and structure analysis of Croatian garlic collection assessed by SSR markersPoljuha Danijela, Franić Mario, Kralj Ines, Weber Tim, Šatović Zlatko, Ban Dean, Toth Nina, Dumičić Gvozden, Kereša Snježana, Pinto da Cunha Camila, Goreta Ban Smiljana10.2478/fhort-2021-00110867-17612021Folia Horticulturae3311-15
High Genetic Diversity and Low Population Differentiation in Wild Hop (Humulus lupulus L.) from CroatiaGrdiša Martina, Šatović Zlatko, Liber Zlatko, Jakše Jernej, Varga Filip, Erhatić Renata, Srečec Siniša10.3390/app11146484
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Genome-Wide Association Studies of Mineral Content in Common BeanGunjača Jerko, Carović-Stanko Klaudija, Lazarević Boris, Vidak Monika, Petek Marko, Liber Zlatko, Šatović Zlatko10.3389/fpls.2021.636484
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Assessment of the Origin and Diversity of Croatian Common Bean Germplasm Using Phaseolin Type, SSR and SNP Markers and Morphological TraitsVidak Monika, Šatović Zlatko, Liber Zlatko, Grdiša Martina, Gunjača Jerko, Kilian Andrzej, Carović-Stanko Klaudija10.3390/plants100406652223-77472021Plants104-
Seismic shaking scenarios for city of Zagreb, CroatiaLatečki Helena, Stipčević Josip, Molinari Irene10.5194/egusphere-egu21-8781
2021Book of Abstracts EGU General Assembly 2021

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Triarylborane Dyes as a Novel Non‐Covalent and Non‐Inhibitive Fluorimetric Markers for DPP III EnzymeBan Željka, Karačić Zrinka, Tomić Sanja, Amini Hashem, Marder Todd B., Piantanida Ivo10.3390/molecules26164816
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SHH-N non-canonically sustains androgen receptor activity in androgen-independent prostate cancer cellsTrnski Diana, Sabol Maja, Tomić Sanja, Štefanac Ivan, Mrčela Milanka, Musani Vesna, Rinčić Nikolina, Kurtović Matea, Petrić Tina, Levanat Sonja, Ozretić Petar10.1038/s41598-021-93971-6
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Aryl-diyne linkers in bis-triarylborane cations control fluorimetric and Raman sensing of various DNA and RNAFerger Matthias, Ban Željka, Krošl Ivona, Tomić Sanja, Dietrich Lena, Lorenzen Sabine, Rauch Florian, Sieh Daniel, Friedrich Alexandra, Griesbeck Stefaine, Kenđel Adriana, Miljanić Snežana, Piantanida Ivo, Marder Todd B.10.1002/chem.2020051410947-65392021Chemistry : a European journal27
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Importance of protein intrinsic conformational dynamics and transient nature of non-covalent interactions in ligand binding affinityKekez Mario, Zanki Vladimir, Antičević Ivan, Rokov-Plavec Jasmina, Maršavelski Aleksandra10.1016/j.ijbiomac.2021.10.0450141-81302021International journal of biological macromolecules192
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Mannosylated adamantane-containing desmuramyl peptide recognition by the NOD2 receptor: a molecular dynamics studyMaršavelski Aleksandra, Paurević Marija, Ribić Rosana10.1039/D1OB00679G1477-05202021Organic & biomolecular chemistry19
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A ferrocene-based pseudopeptide chiroptical switchOpačak Saša, Babić Darko, Perić Berislav, Marinić Željko, Smrečki Vilko, Pem Barbara, Vinković Vrček Ivana, Kirin Srećko I.10.1039/D1DT00508A1477-92262021Dalton transactions13
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Aluminum in dental implants: how to reduce a potential risk to patient´s health?Petrović Željka, Šarić Ankica, Despotović Ines, Katić Jozefina, Petković Marin10.3390/CMDWC2021-09933
2021Materials Proceedings

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Priprava novih indenskih heteropolicikličkih sustavaZnika Monika

2021


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A crystallographic and solid-state NMR study of 1,4-disubstituted 2,5-diketopiperazinesPerić Berislav, Pantalon Juraj Natalija, Szalontai Gábor, Veličković Suzana R., Veljković Filip M., Vikić-Topić Dražen, Kirin Srećko I.10.1016/j.molstruc.2021.1301570022-28602021Journal of molecular structure1234
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Search for Novel Lead Inhibitors of Yeast Cytochrome bc1, from Drugbank and COCONUTJović Ozren, Šmuc Tomislav10.3390/ molecules26144323
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Coumarin derivatives act as novel inhibitors of human dipeptidyl peptidase III: Combined in vitro and in silico studyAgić Dejan, Karnaš Maja, Šubarić Domagoj, Lončarić Melita, Tomić Sanja, Karačić Zrinka, Bešlo Drago, Rastija Vesna, Molnar Maja, Popović Boris M., Lisjak Miroslav10.3390/ph14060540
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Structure prediction of neutral physiological copper(II) compounds with L-cysteine and L- histidineRamek Michael, Pejić Jelena, Sabolović Jasmina10.1016/j.jinorgbio.2021.1115360162-01342021Journal of inorganic biochemistry223
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Large‐scale mitogenome sequencing reveals consecutive expansions of domestic taurine cattle and supports sporadic aurochs introgressionCubric‐Curik Vlatka, Novosel Dinko, Brajkovic Vladimir, Rota Stabelli Omar, Krebs Stefan, Sölkner Johann, Šalamon Dragica, Ristov Strahil, Berger Beate, Trivizaki Stamatina, Bizelis Iosif, Ferenčaković Maja, Rothammer Sophie, Kunz Elisabeth, Simčič Mojca, Dovč Peter, Bunevski Gojko, Bytyqi Hysen, Marković Božidarka, Brka Muhamed, Kume Kristaq, Stojanović Srđan, Nikolov Vasil, Zinovieva Natalia, Schönherz Anna Amanda, Guldbrandtsen Bernt, Čačić Mato, Radović Siniša, Miracle Preston, Vernesi Cristiano, Curik Ino, Medugorac Ivica10.1111/eva.133151752-45712021Evolutionary Applications00
1-16
Benchmarking Apache Beam for IoT ApplicationsŽaja Mateo, Lipić Tomislav, Čavrak Igor

202144rd MIPRO 2021 International Convention - Proceedings

298-303
Intra-domain and cross-domain transfer learning for time series data – How transferable are the features?Otović Erik, Njirjak Marko, Jozinović Dario, Mauša Goran, Michelini Alberto, S̆tajduhar Ivan10.1016/j.knosys.2021.1079760950-70512021Knowledge-Based Systems239
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Investigation of the newly characterized baimantuoluoamide A and baimantuoluoamide B alkaloids as potential cyclin-dependent kinase 4 (CDK4) inhibitors using molecular docking and molecular dynamics simulationsGurushankar Krishnamurti, Rimac Hrvoje, Potemkin Vladimir, Grishina Maria10.1016/j.molstruc.2021.1299250022-28602021Journal of molecular structure1230
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Complementarity principle in terms of electron density for the study of EGFR complexesKandagalla Shivananda, Rimac Hrvoje, Potemkin Vladimir A, Grishina Maria A10.4155/fmc-2020-02651756-89192021Future Medicinal Chemistry1310863-875
Proposition of a new allosteric binding site for potential SARS-CoV-2 3CL protease inhibitors by utilizing molecular dynamics simulations and ensemble dockingNovak Jurica, Rimac Hrvoje, Kandagalla Shivananda, Pathak Prateek, Naumovich Vladislav, Grishina Maria, Potemkin Vladimir10.1080/07391102.2021.19278450739-11022021Journal of biomolecular structure & dynamics1
1-14
A triterpene glochidon from Phyllanthus debilis: Isolation, computational studies, and antidiabetic activity evaluationVerma Amita, Pathak Prateek, Rimac Hrvoje, Khalilullah Habibullah, Kumar Vikas, Grishina Maria, Potemkin Vladimir, Ahmed Bahar10.1016/j.bcab.2021.1021381878-81812021Biocatalysis and Agricultural Biotechnology36
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Potentiometric Surfactant Sensor Based on 1,3- Dihexadecyl-1H-benzo[d]imidazol-3-ium for Anionic Surfactants in Detergents and Household Care ProductsSakač Nikola, Madunić-Čačić Dubravka, Marković Dean, Hok Lucija, Vianello Robert, Šarkanj Bojan, Đurin Bojan, Hajdek Krunoslav, Smoljan Božo, Milardović Stjepan, Matasović Brunislav, Jozanović Marija10.3390/molecules26123627
2021Molecules2612-
Disocijacijska duljina raspršenja atomskog trimera u osnovnome stanjuLeon Ćatipović

2020-07-02



Effect of source-code preprocessing techniques on plagiarism detection accuracy in student programming assignmentsMatija Novak

2020-02-02



Modeling and synthesis of novel oxime derivatives as potential cholinesterase inhibitorsRatković Ana, Pavlović Kristina, Barić Danijela, Marinić Željko, Grgičević Ivan, Škorić Irena10.1016/j.molstruc.2019.1271490022-28602020Journal of molecular structure1200
127149-127149
From Grammar Inference to Semantic Inference—An Evolutionary ApproachKovačević Željko, Mernik Marjan, Ravber Miha, Črepinšek Matej10.3390/math8050816
2020Mathematics851-24
Molecular Dynamics Simulations of the Elusive Matrix‐open State of Mitochondrial ADP/ATP CarrierŠkulj Sanja, Brkljača Zlatko, Vazdar Mario10.1002/ijch.202000011
2020Israel journal of chemistry

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Chloride-Assisted Peptide MacrocyclizationVidović Nikolina, Horvat Gordan, Riva Davide, Rinkovec Tamara, Cindro Nikola, Tomišić Vladislav, Speranza Giovanna10.1021/acs.orglett.0c000361523-70602020Organic letters2262129-2134
Synthesis, photochemistry and photophysics of new butadiene derivatives: influence of the fluoro, dimethylamino and nitro substituents on the molecular structure and photoinduced behaviorGrgičević Ana, Fodor Lajos, Barić Danijela, Poje Margareta, Marinić Željko, Horváth Ottó, Škorić Irena10.1016/j.jphotochem.2020.1126901010-60302020Journal of photochemistry and photobiology. A, Chemistry400
112690-112690
Učenje prijenosom znanja iz vremenskih serija - u kojoj su mjeri značajke prenosive?Otović Erik

2020


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Novel radial distribution function approach in the study of point mutations: the HIV-1 protease case studyNovak Jurica, Grishina Maria A., Potemkin Vladimir A.10.4155/fmc-2020-00421756-89192020Future Medicinal Chemistry12111025-1036
Benzobicyclo[3.2.1]octene derivatives as a new class of cholinesterase inhibitorsČadež Tena, Grgičević Ana, Ahmetović Ramiza, Barić Danijela, Maček Hrvat Nikolina, Kovarik Zrinka, Škorić Irena10.3390/molecules25214872
2020Molecules2521-
Inferring Absolutely Non-Circular Attribute Grammars with a Memetic AlgorithmRavber Miha, Kovačević Željko, Črepinšek Matej, Mernik Marjan10.1016/j.asoc.2020.1069561568-49462020Applied Soft Computing100
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Implicit Hari–Zimmermann algorithm for the generalized SVD on the GPUsNovaković Vedran, Singer Sanja10.1177/1094342020972772
2020International journal of high performance computing applications

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Coordination polymers of paramagnetic bis(leucinato)copper(II) diastereomers: experimental and computational study of the stereoisomerism and conformationsVušak Darko, Pejić Jelena, Jurković Mia, Szalontai Gábor, Sabolović Jasmina10.1039/D0CE00585A
2020CrystEngComm22345587-5600
Symmetry breaking in the solid state of 9,10- anthracene amino acid conjugates as seen by X-ray diffraction and NMR spectroscopyPerić Berislav, Szalontai Gabor, Borovina Mladen, Vikić-Topić Dražen, Srećko Kirin10.1016/j.molstruc.2020.1288340022-28602020Journal of molecular structure1221
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A Detailed Kinetico-Mechanistic Investigation on the Palladium C–H Bond Activation in Azobenzenes and Their Monopalladated DerivativesBjelopetrović Alen, Barišić Dajana, Duvnjak Zrinka, Džajić Ivan, Juribašić Kulcsar Marina, Halasz Ivan, Martinez Manuel, Budimir Ana, Babić Darko, Ćurić Manda10.1021/acs.inorgchem.0c024180020-16692020Inorganic chemistry592317123-17133
Structural characterization of β-glycolaldehyde dimerMohaček Grošev Vlasta, Prugovečki Biserka, Prugovečki Stjepan10.5562/cca36060011-16432020Croatica chemica acta931P1-P8
Kinetic Isotope Effects and Hydrogen Tunnelling in PCET Oxidations of Ascorbate: New Insights into Aqueous Chemistry?Ana Karković Marković Cvijeta Jakobušić Brala10.3390/molecules25061443
2020Molecules256-
Vibrational dynamics of 1, 3-propanediol in liquid, polycrystalline and glassy states: a Raman spectroscopic studyMohaček Grošev Vlasta, Baran Nikola10.1016/j.saa.2019.1175671386-14252020Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy226
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Phase control for quasi-2D blue emitters by spacer cation engineeringTam Ho Won, Leung Tik Lun, Sun Wenting, Liu Fangzhou, Ma Chao, Kam Chun Sing, Lončarić Ivor, Grisanti Luca, Ovčar Juraj, Skoko Željko, Popović Jasminka, Đurisic Aleksandra10.1039/d0tc01631d2050-75262020Journal of Materials Chemistry C8
11052-11060
Mono‐Phosphazenyl Phosphines (R 2 N) 3 P=N–P(NR 2 ) 2 – Strong P‐Bases, P‐Donors, and P‐Nucleophiles for the Construction of ChelatesKögel Julius F., Ullrich Sebastian, Kovačević Borislav, Wagner Sebastian, Sundermeyer Jörg10.1002/zaac.2020001080044-23132020Zeitschrift für anorganische und allgemeine Chemie64613923-932
The role of non-covalent intermolecular interactions on the diversity of crystal packing in supramolecular dihalopyridine–silver(I) nitrate complexesRoca Sunčica, Hok Lucija, Vianello Robert, Borovina Mladen, Đaković Marijana, Karanović Ljiljana, Vikić-Topić Dražen, Popović Zora10.1039/d0ce01257b
2020Crystengcomm22
7962-7974
Drug screening with the Autodock Vina on a set of kinases without experimentally established structuresTomić Draško, Davidović Davor, Janđel Vladimir, Mesarić Josip, Skala Karolj, Lipić Tomislav10.23919/mipro48935.2020.9245440
2020MIPRO 2020 43rd International Convention

395-401
Phylogeography of Campanula fenestrellata s.l. (Campanulaceae) in the northern AdriaticRešetnik Ivana, Temunović Martina, Liber Zlatko, Satovic Zlatko, Bogdanovic Sandro10.1007/s00606-020-01668-60378-26972020Plant systematics and evolution306
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Spatial distribution, niche ecology and conservation genetics of Degenia velebitica (Brassicaceae), a narrow endemic species of the north-western Dinaric AlpsLiber Zlatko, Surina Boštjan, Nikolić Toni, Škrtić Danijel, Šatović Zlatko10.1007/s00606-020-01695-30378-26972020Plant systematics and evolution3064-
Salvia officinalis survived in situ Pleistocene glaciation in ‘refugia within refugia’ as inferred from AFLP markersJug‑Dujaković Marija , Ninčević Tonka , Liber Zlatko , Grdiša Martina , Šatović Zlatko10.1007/s00606-020-01665-90378-26972020Plant systematics and evolution306
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Binding of dipeptidyl peptidase III to the oxidative stress cell sensor Kelch-like ECH-associated protein 1 is a two-step processMatić Sara, Kekez Ivana, Tomin Marko, Bogár Ferenc, Šupljika Filip, Kazazić Saša, Hanić Maja, Jha Shalinee, Brkić Hrvoje, Bourgeois Benjamin, Madl Tobias, Gruber Karl, Macheroux Peter, Matković-Čalogović Dubravka, Matovina Mihaela, Tomić Sanja10.1080/07391102.2020.1804455
2020Journal of biomolecular structure & dynamics

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The substrate selectivity of the two homologous SGNH hydrolases from Streptomyces bacteria: Molecular dynamics and experimental studyMaršavelski Aleksandra, Sabljić Igor, Sugimori Daisuke, Kojić-Prodić Biserka10.1016/j.ijbiomac.2020.04.1980141-81302020International journal of biological macromolecules158
222-230
Nanosized zeolite beta - determining the safety of usage by zebrafish Danio rerio embryosPalčić Ana, Babić Sanja, Maršavelski Aleksandra, Galić Maja, Topić Popović Natalija, Strunjak Perović Ivančica, Čož-Rakovac Rozelindra, Bronić Josip, Valtchev Valentin10.1016/j.micromeso.2020.110103
2020Microporous and mesoporous materials

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Can natural products stop the SARS-CoV-2 virus? A docking and molecular dynamics study of a natural product databaseNovak Jurica, Rimac Hrvoje, Kandagalla Shivananda, Grishina Maria A., Potemkin Vladimir A.

2020Future Medicinal Chemistry

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Attenuation of hepatic and breast cancer cells by Polygonatum verticillatum embedded silver nanoparticlesPathak Manish, Pathak Prateek, Rimac Hrvoje, Grishina Maria, Bagale Uday, Kumar Vikas, Majee Rahul, Potemkin Vladimir, Verma Amita10.1016/j.bcab.2020.1018631878-81812020Biocatalysis and Agricultural Biotechnology30
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Design, synthesis, and computational study of hybrid quinazoline-1,3,5-triazines as epidermal growth factor receptor (EGFR) inhibitors with anticancer activityPathak Prateek, Rimac Hrvoje, Grishina Maria, Verma Amita, Potemkin Vladimir10.1002/cmdc.202000646
2020ChemMedChem

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Pathway enrichment analysis of virus-host interactome and prioritization of novel compounds targeting the spike glycoprotein receptor binding domain-human angiotensin-converting enzyme 2 interface to combat SARSCoV-2Pavan Gollapalli, Sharath Belenahalli Shekarappa, Rimac Hrvoje, Patil Prakash, Kumari Nalilu Suchetha, Kandagalla Shivanandha, Shetty Praveenkumar10.1080/07391102.2020.1841681
2020Journal of biomolecular structure & dynamics

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Computational insights into the binding mode of curcumin analogues against EP300 HAT domain as potent acetyltransferase inhibitorsKandagalla Shivananda, Belenahalli Shekarappa Sharath, Rimac Hrvoje, Grishina Maria A., Potemkin Vladimir A., Hanumanthappa Manjunatha10.1016/j.jmgm.2020.1077561093-32632020Journal of molecular graphics & modelling101
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Indomethacin increases quercetin affinity for human serum albumin: a combined experimental and computational study and its broader implicationsRimac Hrvoje, Tandarić Tana, Vianello Robert, Bojić Mirza10.3390/ijms21165740
2020International journal of molecular sciences2116-
Novel Harmicines with Improved Potency against PlasmodiumMarinović Marina, Perković Ivana, Fontinha Diana, Prudêncio Miguel, Held Jana, Pessanha de Carvalho Lais, Tandarić Tana, Vianello Robert, Zorc Branka, Rajić Zrinka10.3390/molecules25194376
2020Molecules2519-
Photophysical properties and immobilisation of fluorescent pH responsive aminated benzimidazo[1, 2-a]quinoline-6-carbonitrilesHorak Ema, Babić Darko, Vianello Robert, Perin Nataša, Hranjec Marijana, Steinberg Ivana10.1016/j.saa.2019.1175881386-14252020Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy227
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Synthesis and Basicity Studies of Quinolino[7,8‑h]quinoline DerivativesRowlands Gareth J., Severinsen Rebecca J., Buchanan Jenna K., Shaffer Karl J., Jameson Heather T., Thennakoon Nishani, Leito Ivo, Lõkov Märt, Kütt Agnes, Vianello Robert, Despotović Ines, Radić Nena, Plieger Paul G.10.1021/acs.joc.0c014280022-32632020Journal of organic chemistry85
11297-11308
The Effect of Deuteration on the H2 Receptor Histamine Binding Profile: A Computational Insight into Modified Hydrogen Bonding InteractionsHok Lucija, Mavri Janez, Vianello Robert10.3390/molecules25246017
2020Molecules2524-
Evolutionary operators for the Hamiltonian completion problemPuljić Krunoslav, Manger Robert10.1007/s00500-020-05063-81432-76432020Soft computing242318073-18088
Fluorinated twist-bend nematogens: the role of intermolecular interactionKnežević Anamarija, Dokli Irena, Novak Jurica, Kontrec Darko, Lesac Andreja10.1080/02678292.2020.1817585
2020Liquid crystals

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QMC study of trapped Bose-Bose mixtures at finite temperatureDželalija Krešimir, Cikojević Viktor, Boronat Jordi, Vranješ Markić Leandra

2020Exploring Quantum Many‐Body Physics with Ultracold Atoms and Molecules- Booklet with abstracts

105-105
Trapped Bose-Bose mixtures at finite temperature: A quantum Monte Carlo approachDželalija Krešimir, Cikojević Viktor, Boronat Jordi, Vranješ Markić Leandra10.1103/physreva.102.0633042469-99262020Physical Review A1026063304-1
Quantum Monte Carlo study of strongly interacting bosonic one-dimensional systems in periodic potentialsDželalija K., Markić L. Vranješ10.1103/physreva.101.0136262469-99262020Physical review. A1011-
Crossover from one to two dimensions in liquid 4He in a nanoporeVranješ Markić Leandra, Dželalija Krešimir10.1103/PhysRevB.101.1045052469-99502020Physical review. B.101
104505-1
Ferrocene-Fused Acenequinones: Synthesis, Structure and Reaction ChemistryMahrholdt Julia, Kovalski Eduard, Korb Marcus, Hildebrandt Alexander, Vrček Valerije, Lang Heinrich10.1002/ejic.202000956
2020European journal of inorganic chemistry

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Ionization Energy and Reduction Potential in Ferrocene Derivatives. Comparison of Hybrid and Pure DFT FunctionalsToma Mateja, Kuvek Tea, Vrček Valerije10.1021/acs.jpca.0c066631089-56392020The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory124398029-8039
Uloga mitohondrijskih proteina rasprezanja u mehanizmu prijenosa protona kroz unutrašnju mitohondrijsku membranuŠkulj Sanja

2020


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Toluene oxidation on metal-oxide catalysts: Theoretical modelingGomzi Vjeran

2020


1-1
Optimizacija parametara reakcijskog polja sila i teorijsko istraživanje katalitičkih svojstava MnFeO3Gomzi Vjeran, Duplančić Marina, Tomašić Vesna

202018th Ružička days Book of abstracts

142-142
Toluene oxidation on metal-oxide catalysts: Theoretical modelingGomzi Vjeran

2020


1-1
A quadrupolar bis‐triarylborane chromophore as a fluorimetric and chirooptic probe for simultaneous and selective sensing of DNA, RNA and proteinsBan Željka, Griesbeck Stefanie, Tomić Sanja, Nitsch Jörn, Marder Todd, Piantanida Ivo10.1002/chem.2019039360947-65392020Chemistry : a European journal26
2195-2203
The guanidiniocarbonylpyrrole - fluorophore conjugates as theragnostic tools for DPP III monitoring and inhibitionĆehić Mirsada, Suć Sajko Josipa, Karačić Zrinka, Piotrowski Patryciusz, Šmidlehner Tamara, Jerić Ivanka, Schmuck Carsten, Piantanida Ivo, Tomić Sanja10.1080/07391102.2019.16649360739-11022020Journal of biomolecular structure & dynamics38133790-3800
On the metal ion selectivity of PNP-lariat ether—an insight from density functional theory calculationsDespotović Ines10.1007/s11224-020-01542-81040-04002020Structural chemistry3151801-1819
A New Insight into Coating’s Formation Mechanism Between TiO2 and Alendronate on Titanium Dental ImplantPetrović Željka, Šarić Ankica, Despotović Ines, Katić Jozefina, Peter Robert, Petravić Mladen, Petković Marin10.3390/ma13143220
2020Materials1314-
Influence of Biocompatible Coating on Titanium Surface CharacteristicsPetrović Željka, Katić Jozefina, Šarić Ankica, Despotović Ines, Matijaković Nives, Leskovac Mirela, Kralj Damir, Petković Marin10.2174/23520949109992004070957232352-09492020Innovations in Corrosion and Materials Science10137-46
Functional Coatings for Titanium Dental Implants: Differences and SimilaritiesPetrović Željka, Šarić Ankica, Despotović Ines, Katić Jozefina, Petković Marin10.3390/PCMS-08941
2020First Poster Competition on Materials Science

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Funkcionalizacija površine titanijeva dentalnog implantata bioaktivnim prevlakamaVarzić Katarina, Katić Jozefina, Šarić Ankica, Despotović Ines, Leskovac Mirela, Petković Marin, Petrović Željka

2020XIII. susret mladih kemijskih inženjera, SMLKI, Knjiga sažetaka

146-146
Functionalization of Titanium Surface by Innovative Anticorrosion CoatingKatić Jozefina, Šarić Ankica, Despotović Ines, Petković Marin, Petrović Željka

202071st Annual Meeting ISE, Book of Abstracts

1211-1211
Reaktivnost i efekti stabilizacije difenil-fosfinataIvana Tarandek

2019-06-14



Covalent modification of phosphatidylethanolamine by 4-hydroxy-2-nonenal increases sodium permeability across phospholipid bilayer membranesJovanović Olga, Škulj Sanja, Pohl Elena E., Vazdar Mario10.1016/j.freeradbiomed.2019.08.0270891-58492019Free radical biology & medicine143
433-440
Utilizing the Azaazulene Scaffolds in the Design of New Organic SuperbasesBarić Danijela10.1021/acsomega.9b02087
2019ACS Omega41215197-15207
Inquisitive Geometric Sites in h-BN Monolayer for Alkali Earth Metal Ion BatteriesKansara Shivam, Gupta Sanjeev K., Sonvane Yogesh, Varga Pajtler Maja, Ahuja Rajeev10.1021/acs.jpcc.9b044981932-74472019The Journal of Physical Chemistry C1233219340-19346
Prospects for experimental realization of two-dimensional aluminium allotropesLukačević Igor, Varga Pajtler Maja, Mužević Matko, Gupta Sanjeev K.10.1039/C8TC04718A2050-75262019Journal of Materials Chemistry C792666-2675
Hypergraph ContextualityPavičić Mladen10.3390/e211111071099-43002019Entropy (Basel. Online)21111107-1
New zinc ion parameters suitable for classical MD simulations of zinc metallo-peptidasesTomić Antonija, Horvat Gordan, Ramek Michael, Agić Dejan, Brkić Hrvoje, Tomić Sanja10.1021/acs.jcim.9b002351549-95962019Journal of chemical information and modeling5983437-3453
A Computational Insight into Reaction Between Different Amino Acids with Reactive Aldehydes 4- hydroxy-2-nonenal and 4-oxo-2-nonenalŠkulj Sanja, Vazdar Mario

2019Croatica chemica acta

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Effect of electric field on optoelectronic properties of indiene monolayer for photoelectric nanodevicesSingh Deobrat, Gupta Sanjeev K., Lukacevic Igor, Muzevic Matko, Sonvane Yogesh, Ahuja Rajeev10.1038/s41598-019-53631-2
2019Scientific reports9
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Conformational Analyses of Physiological Binary and Ternary Copper(II) Complexes with L‐Asparagine and L‐Histidine ; Study of Tridentate Binding of Copper(II) in Aqueous SolutionRamek Michael, Marković Marijana, Mutapčić Ilina, Pejić Jelena, Kelterer Anne-Marie, Sabolović Jasmina10.1002/open.2019001592191-13632019ChemistryOpen8
852-868
Facile Mechanochemical Anion Substitution in Cyclopalladated Azo-benzenesBjelopetrović Alen, Robić , Marko Halasz, Babić Darko, Juribašić Kulcsar Marina, Ćurić Manda10.1021/acs.organomet.9b006260276-73332019Organometallics38224479-4484
Mixed Spacer Cation Stabilization of Blue‐Emitting n = 2 Ruddlesden–Popper Organic–Inorganic Halide Perovskite FilmsLeung Tik Lun, Tam Ho Won, Liu Fangzhou, Lin Jingyang, Ng Alan Man Ching, Chan Wai Kin, Chen Wei, He Zhubing, Lončarić Ivor, Grisanti Luca, Ma Chao, Wong Kam Sing, Lau Ying Suet, Zhu Furong, Skoko Željko, Popović Jasminka, Djurišić Aleksandra B.10.1002/adom.201901679
2019Advanced optical materials84-
Modeliranje nekovalentnih interakcija u procesima solvatacije kvercetina i reorganizacije konformacije fragmenta U6 snRNAMihaljević Frano

2019


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Metalo-biomolekulski polimeri s aminokiselinama: eksperimentalna i komputacijska studija polimernih L- piroglutamato Cu(II)kompleksaPopović Zora, Pilepić Viktor, Matković- Čalogović Dubravka

2019XXVI konferencija Srpskog kristalografskog društva : izvodi radova = XXVI Conference of the Serbian Crystallographic Society : Abstracts

50-51
Computational Study of Glycerol Binding within the Active Site of Coenzyme B12-Dependent Diol DehydrataseBilić Luka, Barić Danijela, Banhatti Radha Dilip, Smith David M., Kovačević Borislav10.1021/acs.jpcb.9b040711520-61062019The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical123296178-6187
Racemization of oxazepam and chiral 1, 4-benzodiazepines. DFT study of the reaction mechanism in aqueous solutionHok Lucija, Božičević Lucija, Sremec Helena, Šakić Davor, Vrček Valerije10.1039/C8OB02991A1477-05202019Organic & biomolecular chemistry17
1471-1479
Experimental and Computational Study of the Antioxidative Potential of Novel Nitro and Amino Substituted Benzimidazole/Benzothiazole- 2- Carboxamides with Antiproliferative ActivityCindrić Maja, Sović Irena, Mioč Marija, Hok Lucija, Boček Ida, Roškarić Petra, Butković Kristina, Martin-Kleiner Irena, Starčević Kristina, Vianello Robert, Kralj Marijeta, Hranjec Marijana10.3390/antiox8100477
2019Antioxidants810-
From Hydrogen Peroxide-Responsive Boronated Nucleosides Towards Antisense Therapeutics – A Computational Mechanistic StudyTandarić Tana, Hok Lucija, Vianello Robert10.5562/cca35920011-16432019Croatica chemica acta922287-295
Divergent selection and genetic structure of Sideritis scardica populations from southern Balkan Peninsula as revealed by AFLP fingerprintingGrdiša Martina, Radosavljević Ivan, Liber Zlatko, Stefkov Gjoshe, Ralli Parthenopi, Chatzopoulou Paschalina S., Carović-Stanko Klaudija, Šatović Zlatko10.1038/s41598-019-49097-x2045-23222019Scientific Reports9
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Genetic and morphological data reveal new insights into the taxonomy of Campanula versicolor s.l. (Campanulaceae)Janković Ivana, Šatović Zlatko, Liber Zlatko, Kuzmanović Nevena, Di Pietro Romeao, Radosavljević Ivan, Nikolov Zoran, Lakušić Dmitar10.1002/tax.120500040-02622019Taxon682340-369
Genetic diversity and structure of Fusarium oxysporum f.sp. lentis isolates from Iran, Syria and AlgeriaPouralibaba Hamid R., Šatović Zlatko, Cobos Maria Jose, Rubiales Diego, Fondevilla Sara10.1007/s10658-018-01617-70929-18732019European journal of plant pathology15341019-1029
Morphological, genetic and epigenetic aspects of homoploid hybridization between Salvia officinalis L. and Salvia fruticosa Mill.Radosavljević Ivan, Bogdanović Sandro, Celep Ferhat, Filipović Maja, Satovic Zlatko, Surina Boštjan, Liber Zlatko10.1038/s41598-019-40080-02045-23222019Scientific Reports911-13
Electrochemical oxidation of flavonoids: PM6 and DFT for elucidating electronic changes and modelling oxidation potentialMiličević Ante, Miletić Goran I., Novak Jovanović Ivana10.1016/j.molliq.2019.04.1280167-73222019Journal of molecular liquids285
551-556
Electrochemical oxidation of flavonoids: PM6 and DFT for elucidating electronic changes and modelling oxidation potential (part II)Miličević Ante, Miletić Goran I., Novak Jovanović Ivana10.1016/j.molliq.2019.1117300167-73222019Journal of molecular liquids295
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Transacylation in Ferrocenoyl-Purines. NMR and Computational Study of the Isomerization MechanismToma Mateja, Božičević Lucija, Lapić Jasmina, Djaković Senka, Šakić Davor, Tandarić Tana, Vianello Robert, Vrček Valerije10.1021/acs.joc.9b019440022-32632019Journal of organic chemistry841912471-12480
Computational Insight into the Mechanism of the Irreversible Inhibition of Monoamine Oxidase Enzymes by the Antiparkinsonian Propargylamine Inhibitors Rasagiline and SelegilineTandarić Tana, Vianello Robert10.1021/acschemneuro.9b001471948-71932019ACS Chemical Neuroscience1083532-3542
DNA/RNA recognition controlled by the glycine linker and the guanidine moiety of phenanthridine peptidesMatić Josipa, Šupljika Filip, Tandarić Tana, Dukši Marko, Piotrowski Patryciusz, Vianello Robert, Brozović Anamaria, Piantanida Ivo, Schmuck Carsten, Radić Stojković Marijana10.1016/j.ijbiomac.20190141-81302019International journal of biological macromolecules134
422-434
Luminescent pyrenyl–GNA nucleosides: synthesis, photophysics and confocal microscopy studies in cancer HeLa cellsKowalski Konrad, Skiba Joanna, Kowalczyk Aleksandra, Fik Marta Anna, Gapińska Magdalena, Trzybiński Damian, Wozniak Krzysztof, Vrček Valerije, Czerwieniec Rafał10.1039/C9PP00271E1474-905X2019Photochemical & photobiological sciences18
2449-2460
Gold-Induced Desulfurization in a Bis(ferrocenyl) Alkane DithiolPensa Evangelina, Karpowicz Rafal, Jabłoński Artur, Trzybiński Damian, Woźniak Krzysztof, Šakić Davor, Vrček Valerije, Long Nicholas J., Albrecht Tim, Kowalski Konrad10.1021/acs.organomet.9b001750276-73332019Organometallics3892227-2232
Quinoline and ferrocene conjugates: Synthesis, computational study and biological evaluationsMaračić Silvija, Lapić Jasmina, Djaković Senka, Opačak-Bernardi Teuta, Glavaš-Obrovac Ljubica, Vrček Valerije, Raić-Malić Silvana10.1002/aoc.46280268-26052019Applied organometallic chemistry331e4628-e4628
Isotope Labeling Reveals Fast Atomic and Molecular Exchange in Mechanochemical Milling ReactionsLukin Stipe, Tireli Martina, Stolar Tomislav, Barišić Dajana, Blanco Maria Valeria, di Michiel Marco, Užarević Krunoslav, Halasz Ivan10.1021/jacs.8b121490002-78632019Journal of the American Chemical Society14131212-1216
Raširenost infektivne ličinke oblića Anisakis pegreffii (Nematoda, Anisakidae) u parateničnom domaćinu (Sardina pilchardus) i molekularna karakterizacija odgovora modelnog slučajnog domaćina (Rattus norvegicus)Bušelić Garber Ivana

2019


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The conformational equilibrium and vibrational properties of chalconeBakarić Danijela, Baranović Goran10.1016/j.molstruc.2019.06.0980022-28602019Journal of molecular structure1196
429-438
Surface modification of Ti dental implant by bioactive coatings: experimental and theoretical studiesKatić Jozefina, Šarić Ankica, Despotović Ines, Petković Marin, Varzić Katarina, Leskovac Mirela, Petrović Željka

20197th Regional Symposium on Electrochemistry – South East Europe & 8th Kurt Schwabe Symposium : Book of Abstract

143-143
Alcoholic Solvent Influence on ZnO Synthesis: A Joint Experimental and Theoretical StudyŠarić Ankica, Despotović Ines, Štefanić Goran10.1021/acs.jpcc.9b074111932-74472019Journal of physical chemistry. C123
29394-29407
Solvothermal synthesis of zinc oxide nanoparticles: A combined experimental and theoretical studyŠarić Ankica, Despotović Ines, Štefanić Goran10.1016/j.molstruc.2018.10.0250022-28602019Journal of molecular structure1178
251-260
Aprotinin interacts with substrate-binding site of human dipeptidyl peptidase IIIAgić Dejan, Brkić Hrvoje, Kazazić Saša, Tomić Antonija, Abramić Marija10.1080/07391102.2018.15213430739-11022019Journal of Biomolecular Structure and Dynamics37143596-3606
Vector generation of contextual setsPavičić Mladen, Megill Norman D.

2019EPJ Web of Conferences Volume 198 (2019) Quantum Technology International Conference 2018 (QTech 2018)

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Modulation Of Optical Properties With Multilayer Thickness In Antimonene And IndieneMužević Matko, Varga Pajtler Maja, Gupta Sanjeev Kumar, Lukačević Igor10.5185/amlett.2019.22200976-397X2019Advanced Materials Letters104270-274
Universality of size-energy ratio in four-body systemsStipanović Petar, Vranješ Markić Leandra, Gudyma Andrii, Boronat Jordi10.1038/s41598-019-42312-92045-23222019Scientific Reports916289(1)-6289(8)
Automated generation of Kochen-Specker setsPavičić Mladen, Waegell Mordecai, Megill Norman D., Aravind P. K.10.1038/s41598-019-43009-92045-23222019Scientific Reports91-
Calculation of Apparent pKa Values of Saturated Fatty Acids with Different Lengths in DOPC Phospholipid BilayersŠkulj Sanja, Vazdar Mario10.1039/C9CP01204D1463-90762019PCCP. Physical chemistry chemical physics211910052-10060
Revisited Mechanism of Reaction between a Model Lysine Amino Acid Side Chain and 4-Hydroxynonenal in Different Solvent EnvironmentsŠkulj Sanja, Vazdar Katarina, Margetić Davor, Vazdar Mario10.1021/acs.joc.8b022310022-32632019Journal of organic chemistry842526-535
Improving electron transport in the hybrid perovskite solar cells using CaMnO3-based buffer layerPandey Kavita, Singh Deobrat, Gupta Sanjeev Kumar, Yadav Pankaj, Sonvane Yogesh, Lukačević Igor, Kumar Manjeet, Kumar Manoj, Ahuja Rajeev10.1016/j.nanoen.2018.01.0092211-28552018Nano Energy45
287-297
2 H magic-angle spinning NMR and powder diffraction study of deuterated paramagnetic copper(II) glycinato complexes. Information on crystallographic symmetries, stereo-isomerism, and molecular mobility available from ssNMR spectraSzalontai Gábor, Csonka Róbert, Kaizer József, Bombicz Petra, Sabolović Jasmina10.1016/j.ica.2017.05.0710020-16932018Inorganica chimica acta472
320-329
The average local ionization energy and Fukui function of quercetineFabijanić Ivana, Pilepić Viktor

2018


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The non-covalent interaction plots of U6 internal stem-loop domainMihaljević Frano, Pilepić Viktor

2018


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Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B12Kovačević Borislav, Barić Danijela, Babić Darko, Bilić Luka, Hanževački Marko, Sandala Gregory M., Radom Leo, Smith David M.10.1021/jacs.8b031090002-78632018Journal of the American Chemical Society140278487-8496
Chlorination of 5-fluorouracil: Reaction mechanism and ecotoxicity assessment of chlorinated productsHok Lucija, Ulm Lea, Tandarić Tana, Krivohlavek Adela, Šakić Davor, Vrček Valerije10.1016/j.chemosphere.2018.05.1400045-65352018Chemosphere20718612-619
Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine OxidaseMaršavelski Aleksandra, Petrović Dušan, Bauer Paul, Vianello Robert, Kamerlin Shina Caroline Lynn10.1021/acsomega.8b00346
2018ACS Omega343665-3674
Calibration of Source-Code Similarity Detection Tools for Objective ComparisonsNovak Matija, Kermek Dragutin, Joy Mike10.23919/MIPRO.2018.8400147
2018MIPRO 2018 - 41st International Convention

794-799
Infrared spectroscopy of flavones and flavonols. Reexamination of the hydroxyl and carbonyl vibrations in relation to the interactions of flavonoids with membrane lipidsBaranović Goran, Šegota Suzana10.1016/j.saa.2017.11.0571386-14252018Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy192
473-486
Hydrogen attachment and release in Fe(H)2(H2) (PEtPh2)3. Theoretical predictions.Gomzi Vjeran

20188 th Regional Biophysics Conference Book of Abstracts

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Design of Exceptionally Strong Organic Superbases Based on Aromatic Pnictogen Oxides: Computational DFT Analysis of the Oxygen Basicity in the Gas Phase and Acetonitrile SolutionTandarić Tana, Vianello Robert10.1021/acs.jpca.7b119451089-56392018The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory12251464-1471
A DFT/PCM-based methodology for predicting solvolytic reactivities of organic carbonatesMatić Mirela, Denegri Bernard10.1039/C8OB00917A1477-05202018Organic & biomolecular chemistry16254665-4674
Mechanism of Mechanochemical C–H Bond Activation in an Azobenzene Substrate by Pd(II) CatalystsBjelopetrović Alen, Lukin Stipe, Halasz Ivan, Užarević Krunoslav, Đilović Ivica, Barišić Dajana, Budimir Ana, Juribašić Kulcsar Marina, Ćurić Manda10.1002/chem.2018024030947-65392018Chemistry : a European journal244210672-10682
Benzoylguanidines as the Anion Responsive SystemsGlasovac Zoran, Barešić Luka, Antol Ivana, Margetić Davor

2018ChemPlusChem

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Basicity of Some Pyridinophanes in Gas Phase and Acetonitrile – a DFT StudyDespotović Ines10.1002/slct.2018014492365-65492018ChemistrySelect3277718-7731
Ferrocenyl GNA nucleosides: a bridge between organic and organometallic xeno-nucleic acidsKowalski Konrad, Skiba Joanna , Yuan Qing, Hildebrandt Alexander, Trzybinski Damian, Wozniak Krzystof, Balogh Ria, Gyurcsik Bela, Vrček Valerije10.1002/cplu.2017005512192-65062018ChemPlusChem83277-86
Disorder at the Chiral Cα Center and Room- Temperature Solid-State cis–trans Isomerization ; Synthesis and Structural Characterization of Copper(II) Complexes with D-allo, L-IsoleucinePejić Jelena, Vušak Darko, Szalontai Gábor, Prugovečki Biserka, Mrvoš-Sermek Draginja, Matković-Čalogović Dubravka, Sabolović Jasminahttps://pubs.acs.org/doi/10.1021/acs.cgd.8b005891528-74832018Crystal Growth & Design1895138-5154
Harmonically trapped Bose-Bose mixtures: a quantum Monte Carlo studyV. Cikojević , L. Markic Vranješ , J. Boronat10.1088/1367-2630/aad6cc1367-26302018New journal of physics20085002-
Ultradilute quantum liquid dropsCikojević Viktor, Dželalija Krešimir, Stipanović Petar, Vranješ Markić Leandra, Boronat Jordi10.1103/physrevb.97.1405022469-99502018Physical Review B9714-
Vector Generation of Quantum Contextual Sets in Even Dimensional Hilbert SpacesPavičić Mladen, Megill Norman D.10.3390/e201209281099-43002018Entropy (Basel. Online)2012-
Tetrahedral hydrocarbon nanoparticles in space: X-ray spectraBilalbegović Goranka, Maksimović Aleksandar, Valencic Lynne10.1093/mnras/sty6070035-87112018Monthly notices of the Royal Astronomical Society47645358-5364
Structure of Helium–Alkali PentamersStipanović Petar, Vranješ Markić Leandra10.1007/s00601-018-1367-x0177-79632018Few-body systems593-
Ground-state characteristics of helium–alkali tetramersStipanović Petar, Vranješ Markić Leandra10.1088/1361-6455/aacb450953-40752018Journal of Physics B: Atomic, Molecular and Optical Physics5115-
Structural and computational analysis of intermolecular interactions in a new 2- thiouracil polymorphFabijanić Ivana, Matković-Čalogović Dubravka, Pilepić Viktor, Sanković Krešimir10.1107/s205322961701542x2053-22962017Acta Crystallographica Section C-Structural Chemistry73121078-1086
New investigations of the guanine trichloro cuprate(II) complex crystalFabijanić Ivana, Matković-Čalogović Dubravka, Pilepić Viktor, Ivanišević Irena, Mohaček- Grošev Vlasta, Sanković Krešimir10.1016/j.molstruc.2016.08.0690022-28602017Journal of molecular structure1128
317-324
Spin-dependent electron transport in C and Ge doped BN monolayersGupta Sanjeev K., He Haiying, Lukačević Igor, Pandey Ravindra10.1039/C7CP05596J1463-90762017PCCP. Physical chemistry chemical physics194530370-30380
Genetic Diversity of Croatian Common Bean LandracesCarović-Stanko Klaudija, Liber Zlatko, Vidak Monika, Barešić Ana, Grdiša Martina, Lazarević Boris, Šatović Zlatko10.3389/fpls.2017.006041664-462X2017Frontiers in Plant Science8
604-1
Genetic diversity of the sweet chestnut (Castanea sativa Mill.) in central Europe and the western part of the Balkan Peninsula, and evidence of marron genotype introgression into wild populationsPoljak Igor, Idžojtić Marilena, Šatović Zlatko, Ježić Marin, Ćurković Perica Mirna, Simovski Bojan, Acevski Jane, Liber Zlatko10.1007/s11295-017-1107-21614-29422017Tree Genetics and Genomes
113-1
Establishing the Bases for Introducing the Unexplored Portuguese Common Bean Germplasm into the Breeding WorldLeitão Susana T., Dinis Marco, Veloso Maria M., Šatović Zlatko, Vaz Patto Maria C.10.3389/fpls.2017.012961664-462X2017Frontiers in Plant Science8
1296-1
New investigations of the guanine trichloro cuprate(II) complex crystalIvana Fabijanic, Dubravka Matkovic-Calogovic, Viktor Pilepic , Irena Ivanisevic, Vlasta Mohacek-Grosev, Kresimir Sankovic10.1016/j.molstruc.2016.08.069
2017Journal of Molecular Structure1128
317-324
1, 1'-Bis(thymine)ferrocene Nucleoside : Synthesis and Study of Its Stereoselective FormationKowalski Konrad, Anisimov Iurii, Salomon Sebastian, Hildebrandt Alexander, Lang Heinrich, Trzybinski Damian, Wozniak Krzysztof, Šakić Davor, Vrček Valerije10.1002/cplu.2017002152192-65062017ChemPlusChem826859-866
Fluorescent benzimidazo[1, 2-a]quinolines: Synthesis, spectroscopic and computational studies of protonation equilibria and metal ion sensitivityHranjec Marijana, Horak Ema, Babić Darko, Plavljanin Sanela, Srdović Zrinka, Murković Steinberg Ivana, Vianello Robert, Perin Nataša10.1039/C6NJ02268E1144-05462017New journal of chemistry411358-371
Novel pyrimidine-2, 4-dione-1, 2, 3-triazole and furo[2, 3-d]pyrimidine-2-one-1, 2, 3-triazole hybrids as potential anti-cancer agents: Synthesis, computational and X-ray analysis and biological evaluationGregorić Tomislav, Sedić Mirela, Grbčić Petra, Tomljenović Paravić Andrea, Kraljević Pavelić Sandra, Cetina Mario, Vianello Robert, Raić-Malić Silvana10.1016/j.ejmech.2016.11.0280223-52342017European journal of medicinal chemistry125
1247-1267
What a difference a methyl group makes - the selectivity of monoamine oxidase B towards histamine and N-methylhistamineMaršavelski Aleksandra, Vianello Robert10.1002/chem.2016054300947-65392017Chemistry : a European journal23122915-2925
Arbitrarily exhaustive hypergraph generation of 4-, 6-, 8-, 16-, and 32-dimensional quantum contextual setsPavičić Mladen10.1103/PhysRevA.95.0621212469-99342017Physical Review A956-
Reversible Gas−Solid Ammonia N−H Bond Activation Mediated by an Organopalladium ComplexJuribašić Kulcsar Marina, Halasz Ivan, Budimir Ana, Užarević Krunoslav, Lukin Stipe, Monas Andrea, Emmerling Franziska, Plavec Janez, Ćurić Manda10.1021/acs.inorgchem.7b004220020-16692017Inorganic chemistry5695342-5351
Solvolytic Behavior of Aryl and Alkyl Carbonates. Impact of the Intrinsic Barrier on Relative Reactivities of Leaving GroupsMatić Mirela, Katić Matija, Denegri Bernard, Kronja Olga10.1021/acs.joc.7b008850022-32632017Journal of organic chemistry82157820-7831
New Classes of Kochen-Specker Contextual SetsMegill Norman D., Pavičić Mladen

2017Proceedings of The 40th International Convention on Information and Communication Technology, Electronics, and Microelectronics, May 22-26, 2017

195-200
Calculating the geometry and Raman spectrum of physiological bis(L-histidinato)copper(II): an assessment of DFT functionals for aqueous and isolated systemsSabolović Jasmina, Ramek Michael, Marković Marijana10.1007/s00894-017-3448-z1610-29402017Journal of molecular modeling23
290-1
Pronounced conformational flexibility of physiological (L-histidinato)(L-threoninato)copper(II) in aqueous solution disclosed by a quantum chemical studyRamek Michael, Marković Marijana, Loher Caludia, Sabolović Jasmina10.1016/j.poly.2017.06.0410277-53872017Polyhedron135
121-133
Localization improvement of deuterium uptake in hydrogen/deuterium exchange in proteinsBabić Darko, Smith David M.10.1002/cem.28760886-93832017Journal of chemometrics313e2876-1
Reduction Potential of Ferrocenoyl-Substituted Nucleobases. Experimental and Computational StudyHavaić Valentina, Djaković Senka, Lapić Jasmina, Weitner Tin, Šakić Davor, Vrček Valerije10.5562/cca32290011-16432017Croatica chemica acta904589-594
Validation of flavonoids as potential dipeptidyl peptidase III inhibitors: experimental and computational approachAgić Dejan, Brkić Hrvoje, Tomić Sanja, Karačić Zrinka, Špoljarević Marija, Lisjak Miroslav, Bešlo Drago, Abramić Marija10.1111/cbdd.128871747-02772017Chemical biology & drug design894619-627
Missing Fe: hydrogenated iron nanoparticlesBilalbegović Goranka, Maksimović Aleksandar, Mohaček-Grošev Vlasta10.1093/mnrasl/slw2261745-39252017Monthly Notices of the Royal Astronomical Society4661L14-L18
Structure of Halo and Quasi-halo Helium–Helium– Alkali TrimersStipanović Petar, Vranješ Markić Leandra, Boronat Jordi10.1007/s00601-017-1288-00177-79632017Few-body systems58
123-1
Quantum Halo States in Helium TetramersStipanović Petar, Vranješ Markić Leandra, Boronat Jordi10.1021/acs.jpca.6b106561089-56392017Journal of Physical Chemistry A1211308-314
Ground-state properties of weakly bound helium- alkali trimersStipanović Petar, Vranješ Markić Leandra, Zarić Darko, Boronat Jordi10.1063/1.49733810021-96062017The Journal of chemical physics146
014305-1
A novel antimicrobial target—expanded and revisited mode of action of pantothenamidesMaršavelski Aleksandra10.1039/C6RA07430H2046-20692016RSC Advances6
44888-44895
Genetic diversity and morphological variability in the Balkan endemic Campanula secundiflora s.l. (Campanulaceae)Janković Ivana, Šatović Zlatko, Liber Zlatko, Kuzmanović Nevena, Radosavljević Ivan, Lakušić Dmitar10.1111/boj.123590024-40742016Botanical Journal of the Linnean Society180164-88
Characterizing Croatian Wheat Germplasm Diversity and Structure in a European Context by DArT MarkersNovoselović Dario, Bentley Alison R., Šimek Ruđer, Dvojković Krešimir, Sorrells Mark E., Gosman Nicolas, Horsnell Richard, Drezner Georg, Šatović Zlatko10.3389/fpls.2016.001841664-462X2016Frontiers in Plant Science7
184-1
Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligandsŠkalamera Đani, Sanders Ernest, Vianello Robert, Maršavelski Aleksandra, Pevec Andrej, Turel Iztok, Kirin Srećko I.10.1039/C5DT03387J1477-92262016Dalton transactions4572845-2858
The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor LigandsKržan Mojca, Vianello Robert, Maršavelski Aleksandra, Repič Matej, Zakšek Maja, Kotnik Kristina, Fijan Estera, Mavri Janez10.1371/journal.pone.01540021932-62032016PLoS One11
e0154002-e0154002
15N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine SuperbasesSchwamm Ryan J., Vianello Robert, Maršavelski Aleksandra, García M. Ángeles, Claramunt Rosa M., Alkorta Ibon, Saame Jaan, Leito Ivo, Fitchett Christopher M., Edwards Alison J., Coles Martyn P.10.1021/acs.joc.6b013300022-32632016Journal of organic chemistry81177612-7625
Quantum Chemical Study of HOCl-Induced Transformations of CarbamazepineTandarić Tana, Vrček Valerije, Šakić Davor10.1039/C6OB02166B1477-05202016Organic & biomolecular chemistry14
10866-10874
Tuning Ag29 nanocluster light emission from red to blue with one and two-photon excitationRussier-Antoine, Isabelle; Bertorelle, Franck; Hamouda, Ramzi.; Rayane, Driss; Dugourd, Philippe; Sanader, Željka; Bonačić-Koutecký, Vlasta; Brevet, Pierre-Francois; Antoine, Rodolphe10.1039/C5NR08122J 
2016Nanoscale8
2892-2898
Two-photon absorption of ligand-protected Ag15 nanoclusters. Towards a new class of nonlinear optics nanomaterialsSanader, Zeljka; Krstic, Marjan; Russier-Antoine, Isabelle; Bertorelle, Franck; Dugourd, Philippe; Brevet, Pierre-François; Antoine, Rodolphe; Bonačić-Koutecký, Vlasta10.1039/C6CP00207B 
2016Physical Chemistry Chemical Physics18
12404-12408
The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase EnzymesVianello Robert, Domene Carmen, Mavri Janez10.3389/fnins.2016.003271662-453X2016Frontiers in Neuroscience10
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Vapour-induced solid-state C–H bond activation for the clean synthesis of an organopalladium biothiol sensorMonas Andrea, Užarević Krunoslav, Halasz Ivan, Juribašić Kulcsar Marina, Ćurić Manda10.1039/c6cc06062e1359-73452016Chemical communications528812960-12963
The role of negative hyperconjugation in decomposition of bicarbonate and organic carbonate anionsDenegri Bernard, Matić Mirela, Kronja Olga10.1002/slct.2016013572365-65492016ChemistrySelect1165250-5259
Classical Logic and Quantum Logic with Multiple and Common Lattice ModelsPavičić Mladen10.1155/2016/68306851687-91202016Advances in Mathematical Physics2016
6830685-1
Massive Generation of Contextual Quantum SetsPavičić Mladen.

2016EMN Meeting on Quantum Communication and Quantum Imaging-2016 Program & Abstracts

28-29
The Important Role of the Hydroxyl Group on the Conformational Adaptability in Bis(L-threoninato)copper(II) Compared to Bis(L-allo-threoninato)copper(II): Quantum Chemical StudyMarković Marijana, Ramek Michael, Loher Claudia, Sabolović Jasmina10.1021/acs.inorgchem.6b011570020-16692016Inorganic chemistry55157694-7708
Elusive structure of helium trimersStipanović Petar, Vranješ Markić Leandra, Boronat Jordi10.1088/0953-4075/49/18/1851010953-40752016Journal of physics. B, Atomic molecular and optical physics4918185101-1
Structural and electronic determinants of flavonoid binding to human serum albumin: An extensive ligand-based studyRimac Hrvoje, Debeljak Željko, Šakić Davor, Weitner Tin, Gabričević Mario, Vrček Valerije, Zorc Branka, Bojić Mirza10.1039/c6ra17796d2046-20692016RSC Advances67975014-75022
Solidification of He-4 clusters adsorbed on grapheneVranješ Markić Leandra, Stipanović Petar, Bešlić Ivana, Zillich Robert E.10.1103/PhysRevB.94.0454282469-99502016Physical Review B944045428-1
The DFT local reactivity descriptors of alpha-tocopherolFabijanić Ivana, Jakobušić Brala Cvijeta, Pilepić Viktor10.1007/s00894-015-2644-y1610-29402015Journal of molecular modeling21
99-1
Human 3-hydroxyanthranilate 3, 4-dioxygenase (3HAO) dynamics and reaction, a multilevel computational studyBrkić, Hrvoje; Kovačević, Borislav; Tomić, Sanja

2015Molecular biosystems11
898-907
Causes and consequences of contrasting genetic structure in sympatrically growing and closely related speciesRadosavljević Ivan, Šatović Zlatko, Liber Zlatko10.1093/aobpla/plv1062041-28512015AoB Plants7
plv106-1
The origin of specificity and insight into recognition between an aminoacyl carrier protein and its partner ligaseMaršavelski Aleksandra, Močibob Marko, Gruić- Sovulj Ita, Vianello Robert10.1039/C5CP03066H1463-90762015Physical Chemistry Chemical Physics172919030-19038
Supramolecular Ionic-Liquid Gels with High Ionic ConductivityMaršavelski Aleksandra, Smrečki Vilko, Vianello Robert, Žinić Mladen, Moguš-Milanković Andrea, Šantić Ana10.1002/chem.2015008870947-65392015Chemistry : a European journal213412121-12128
Experimental and theoretical study of the cation binding properties of macrocyclic dehydrodibenzopyrido[15]annulenesZimmermann Boris, Baranović Goran, Gembarovski Dubravka10.1016/j.saa.2014.08.0761386-14252015Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy137
730-739
Mechanochemical reactions studied by in situ Raman spectroscopy : base catalysis in liquid-assisted grindingTireli Martina, Juribašić Kulcsar Marina, Cindro Nikola, Gracin Davor, Biliškov Nikola, Borovina Mladen, Ćurić Manda, Halasz Ivan, Užarević Krunoslav10.1039/c5cc01915j1359-73452015Chemical communications51388058-8061
A comparison of force fields for ethanol-water mixturesMijaković M., Polok K., Kežić B., Sokolić F., Perera A., Zoranić L.
0892-70222014Molecular Simulation

1029-0435
A New Ant Colony Optimization Algorithm: Three Bound Ant SystemIvkovic N., Golub M.
0302-974320149th International Conference, ANTS 2014, Brussels, Belgium, September 10-12, 2014. Proceedings Series: Lecture Notes in Computer Science8667
280-281
Acetamide as the Model of the Peptide Bond: Nonadiabatic Photodynamical Simulations in the Gas Phase and in the Argon MatrixEckert-Maksić M., Antol I., Vazdar M.10.1016/j.comptc.2014.02.025
2014Computational and Theoretical Chemistry1040-1041
136-143
Aging and Ball Milling as Low-Energy and Environmentally-Friendly Methods for the Synthesis of Pd(II) PhotosensitizersJuribašić M., Halasz I., Babić D., Cinčić D., Plavec J., Ćurić M.

2014Journal: Organometallics; Conference: Hot Topics in Contemporary Crystallography 2014, HTCC2014, Šibenik, Hrvatska, 10.-15.5.2014.3351227-1234
Chlorination of N-Methylacetamide and Amide-Containing Pharmaceuticals. Quantum-Chemical Study of the Reaction MechanismŠakić D., Šonjić P., Tandarić T., Vrček V.

2014The journal of physical chemistry A.118122367-2376
Computational study of the IRES subdomain IIa structural plasticity and the ligand binding affinityM. Grabar Branilović, S. Tomić

2014Chemistry towards Biology 7th Central European Conference - Book of Abstracts / Jarzembek, Krystyna (ur.) (ur.). Katowice, Poljska (poster, međunarodna recenzija, sažetak, znanstveni)

P10-P10
Computational study of the structural plasticity and the ligand binding affinity of the IRES subdomain IIaM. Grabar Branilović, S. Tomić10.1039/c4mb00469h1742-206X2014Molecular biosystems10123272-3279
Constrained-Geometry Bisphosphazides Derived from 1, 8-Diazidonaphthalene: Synthesis, Spectroscopic Characteristics, Structural Features, and Theoretical InvestigationsJ.F. Kögel, N.C. Abacılar, F. Weber, B. Oelkers, K. Harms, B. Kovačević, J. Sundermeyer

2014Chemistry - A European Journal20205994-6009
Cyclopropenimine as a hydrogen bond acceptor—towards the strongest non-phosphorus superbasesD. Barić, I. Dragičević, B. Kovačević

2014Tetrahedron70258571-8576
Decay Mechanisms of Protonated 4-Quinolone Antibiotics After Electrospray Ionization and Ion ActivationB. Kovačević, P. Schorr, Y. Qi, D.A. Volmer

2014Journal of The American Society for Mass Spectrometry25111974-1986
Do cement nanoparticles exist in space?G. Bilalbegović, A. Maksimović, V. Mohaček-Grošev10.1093/mnras/stu8690035-87112014Monthly Notices of the Royal Astronomical Society442
1319-1325
Effect of Intramolecular Hydrogen Bonds on the Gas-phase Basicity of GuanidinesGlasovac, Z., Eckert-Maksić M.10.1071/CH141820004-94252014Australian journal of chemistry6771056-1062
Eksperimentalno utemeljeno modeliranje interakcija nukleinskih kiselina i malih molekulaM. Grabar Branilović

2014PhD Thesis


The average local ionization energy and Fukui function of L-ascorbate, the local reactivity descriptors of antioxidant reactivityJakobušić Brala Cvijeta, Fabijanić Ivana, Karković Marković Ana, Pilepić Viktor10.1016/j.comptc.2014.09.0082210-271X2014Computational and theoretical chemistry1049
1-6
Guanidine and guanidinium cation in the excited state—theoretical investigationAntol I., Glasovac Z., Crespo-Otero R., Barbatti M.10.1063/1.48925690021-96062014The journal of chemical physics1417074307-1-10
Mechanochemical C–H Bond Activation: Rapid and Regioselective Double Cyclopalladation Monitored by in situ Raman SpectroscopyJuribašić M., Užarević K., Gracin D., Ćurić M.,

2014Chemical communications507110287-10290
Memory of chirality in the phthalimide photocyclization of adamantane dipeptidesŠumanovac Ramljak T., Sohora M., Antol I., Kontrec D., Basarić N., Mlinarić-Majerski K.10.1016/j.tetlet.2014.05.118
2014Tetrahedron letters55
4078-4081
A single amino acid substitution affects the substrate specificity of the seryl-tRNA synthetase homologueMaršavelski Aleksandra, Lesjak Sonja, Močibob Marko, Weygand-Đurašević Ivana, Tomić Sanja10.1039/C4MB00416G1742-206X2014Molecular biosystems10123207-3216
Solid-State NMR Characterization of Paramagnetic Bis(L-valinato)copper(II) Stereoisomers – Effect of Conformational Disorder and Molecular Mobility on 13C and 2H Fast Magic-Angle Spinning SpectraSzalontai G., Sabolović J., Marković M., Balogh S.10.1002/ejic.2013007461099-06822014European journal of inorganic chemistry2014
3330-3340
Structure, defects, and strain in silicon-silicon oxide interfacesKovacevic G., Pivac B.10.1063/1.4862809
2014Journal of Applied Physics1154
Sulfur-bearing species in molecular cloudsG. Bilalbegović, G. Baranović10.1093/mnras/stu23130035-87112014Monthly Notices of the Royal Astronomical Society (MNRAS)44633118-3129
Superbasic Alkyl-Substituted Bisphosphazene Proton Sponges: Synthesis, Structural Features, Thermodynamic and Kinetic Basicity, Nucleophilicity and Coordination ChemistryJ.F. Kögel, X. Xie, E. Baal, D. Gesevičius, B. Oelkers, B. Kovačević, J. Sundermeyer

2014Chemistry - A European Journal20257670-7685
Supramolecular stabilization of metastable tautomers in solution and solid state.Juribašić M., Bregović N., Stilinović V., Tomišić V., Cindrić M., Šket P., Plavec J., Rubčić M., Užarević K.10.1002/chem.201403543
2014Chemistry : a European journal.


The average local ionization energy and Fukui function of L-ascorbate, the local reactivity descriptors of antioxidant reactivityC. Jakobušić Brala, I. Fabijanić, A. Karković Marković, V. Pilepić10.1016/j.comptc.2014.09.008
2014Computational and Theoretical Chemistry1049
01.lip
The Stability of Nitrogen-Centered Radicals, Organic & biomolecular chemistryHioe J., Šakić D., Vrček V., Zipse H.

2014
1101.sij
Universality in molecular halo clustersStipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Boronat, Jordi10.1103/PhysRevLett.113.253401
2014Physical Review Letters11325253401 - 253405
Vibrational Analysis of 3-Glycidoxypropyltrimethoxysilane PolymerMovre Šapić I., Bistričić L., Volovšek V., Dananić V.10.1002/masy.2013001451521-39002014Macromolecular Symposia3391122-129
Why does the coordination mode of physiological bis(L-histidinato)copper(II) differ in the gas phase, crystal lattice and aqueous solutions? A quantum chemical studyMarković, M., Ramek M., Sabolović J.10.1002/ejic.2013007461099-06822014European journal of inorganic chemistry20141198-212
A DFT-based model for calculating solvolytic reactivity. The nucleofugality of aliphatic carboxylates in terms of Nf parametersDenegri Bernard, Matić Mirela, Kronja Olga10.1039/C4OB00563E1477-05202014Organic & biomolecular chemistry12305698-5709
Obtaining massive data sets for contextual experiments in quantum informationPavičić Mladen

2014Information and Communication Technology, Electronics and Microelectronics (MIPRO), 2014 37th International Convention on.

332-335
4He clusters adsorbed on grapheneVranješ Markić, Leandra; Stipanović, Petar; Bešlić, Ivana; Zillich, Robert E.10.1103/PhysRevB.88.125416
2013Physical Review B8812125416-1 - 125416-13
A New Synthetic Pathway to the Second and Third Generation of Superbasic Bisphosphazene Proton Sponges: The Run for the Best Chelating Ligand for a ProtonKögel J.F., Oelkers B., Kovačević B., Sundermeyer J.

2013Journal of the American Chemical Society354717768-17774
Atropisomerism in 1-(2-Adamantyl)naphthalene DerivativesVeljković J., Antol I., Basarić N., Smrečki V., Molčanov K., Müller N., Mlinarić-Majerski K.10.1016/j.molstruc.2013.04.027
2013Journal of molecular structure1046
101-109
Quantum-chemical approach to determining the high potency of clorgyline as an irreversible acetylenic monoamine oxidase inhibitorPavlin Matic, Mavri Janez, Repič Matej, Vianello Robert10.1007/s00702-013-1016-y0300-95642013Journal of neural transmission1206875-882
Design of Superbasic Guanidines: The Role of Multiple Intramolecular Hydrogen BondsBarić D., Dragičević I., Kovačević B.

2013Journal of organic chemistry7884075-4082
Dibenzotetraaza[14]annulene – adenine conjugate recognizes complementary poly dT among ss-DNA / ss-RNA sequencesM. Radić Stojković, M. Škugor, S. Tomić, M. Grabar, V. Smrečki, L. Dudek, J. Grolik, J. Eilmes, Julita, I. Piantanida10.1039/c3ob40519b1477-05202013Organic & biomolecular chemistry11244077-4085
Glycolaldehyde dimer in the stable crystal phase has axial OH groups:Raman, infrared and X-ray data analysisV. Mohaček-Grošev , B. Prugovečki, S. Prugoveč, N. Strukan10.1016/j.molstruc.2013.05.0060022-28602013Journal of Molecular Structure1047
209-215
Mechanisms and reaction-path dynamics of hydroxyl radical reactions with aromatic hydrocarbons: The case of chlorobenzeneKovacevic G., Sabljic A.10.1016/j.chemosphere.2013.04.0410045-65352013Chemosphere927851–856
Neighboring Effect in Fragmentation Pathways of Cage 2 Guanylhydrazones in the Gas PhaseŠekutor M., Glasovac Z., Mlinarić-Majerski K.10.1021/jp311049f1089-56392013Journal of physical chemistry. A.117102242-2252
Non-heme iron dependent enzymes – understanding transport of iron cation in acetylacetone dioxygenase from Acinetobacter johnsoiiTomić S., Brkić H., Straganz G., Buongiorno D.
0175-75712013European Biophys. J.421814
Observed bands in Raman and infrared spectra of 1,3-dioxolane and their assignmentsV. Mohaček-Grošv, K. Furić, H. Ivanković10.1016/j.vibspec.2012.11.0070924-20312013Vibrational Spectroscopy64
101-107
Photodeactivation paths in norbornadieneAntol I.10.1002/jcc.23270
2013Journal of computational chemistry34171439-1445
Proteini i nukleinske kiseline u vremenu i prostoruS. Tomić, H. Brkić, M. Grabar Branilović, A. Tomić, B. Bertoša, M. Šikić

2013Bioinformatics and biological physics: proceedings of the scientific meeting/ V. Paar (ur.); Zagreb, Hrvatska akademija znanosti i umjetnosti (pozvano predavanje, domaća recenzija, objavljeni rad)

149-157
Quantum-chemical approach to determining the high potency of clorgyline as an irreversible acetylenic monoamine oxidase inhibitorM. Pavlin, J. Mavri, M. Repič, R. Vianello

2013Journal of Neural Transmission120
875–882
Study of lipophilicity and membrane partition of 4-hydroxycoumarins by HPLC and PCAIlijaš M., Malnar I., Gabelica Marković V., Stepanić V.

2013J. Pharm. Biomed. Anal.76
104-111
The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotidesM. Grabar Branilović, S. Tomić, L.-M. Tumir, I. Piantanida10.1039/C3MB25578F1742-206X2013Molecular biosystems982051-2062
The chemical fate of paroxetine metabolites. Dehydration of radicals derived from 4-(4-fluorophenyl)-3-(hydroxymethyl)piperidineAchrainer F., Šakić D., Vrček V., Zipse H.

2013Organic & biomolecular chemistry11254232-4239
Theoretical study on the mechanism and kinetics of addition of hydroxyl radicals to fluorobenzeneKovacevic G., Sabljic A.10.1002/jcc.231751096-987X2013Journal of Computational Chemistry348646–655
Toward Extension of the Gas-Phase Basicity Scale by Novel Pyridine Containing GuanidinesGlasovac Z., Pavošević F., Štrukil V., Eckert-Maksić M., Schlangen M., Kretschmer R.10.1016/j.ijms.2013.06.0121387-38062013International journal of mass spectrometry354/355
113-122
Universality of atomic quantum halo clustersStipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Boronat, Jordi

2013MBT17 XVII. International conference on recent progress in many-body theories

56
Univerzalnost atomskih kvantnih halo klasteraStipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Boronat, Jordi
978-953-7178-15-420138. znanstveni sastanak HFD-a

121
Dicyclopalladated Complexes of Asymmetrically Substituted Azobenzenes: Synthesis, Kinetics and MechanismsJuribašić Marina, Budimir Ana, Kazazić Snježana, Ćurić Manda10.1021/ic402017v0020-16692013Inorganic chemistry522112749-12757
Adsorption of 4HeN and 4HeN3He Clusters on CesiumStipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Martinić, Tea10.1007/s10909-011-0406-50022-2291 (print) / 1573-7357 (online)2012Journal of low temperature physics16601.vlj68-79
Computational Study of Radical Derived from Hydroxyurea and Its Methylated AnaloguesVinković Vrček I., Šakić D., Vrček V., Zipse H., Biruš M.

2012Organic & biomolecular chemistry1061196-1206
Ring Strain and Other Factors Governing the Basicity of Nitrogen Heterocycles - An Interpretation by Triadic AnalysisRadić Nena, Despotović Ines, Vianello Robert10.5562/cca21210011-16432012Croatica chemica acta854495-504
Dke1 – Structure, Dynamics and Function, A Theoretical and Experimental Study Elucidated the Role of the Binding Site Shape and the H-Bonding Network in CatalysisH. Brkić, D. Buongiorno, M. Ramek, G. Straganz, S. Tomić10.1007/s00775-012-0898-80949-82572012Journal of biological inorganic chemistry175801-815
Interplay of crystallography and modelling in studying biological macromoleculesTomić S., Abramić M., Brkić H., Tomić A.
978-953-154-157-22012Conference: Kristalografija u Hrvatskoj

129 - 137
Kinetic differentiation between homo- and alternating AT-DNA by sterically restricted phosphonium dyesL.-M. Tumir, I. Crnolatac, T. Deligeorgiev, A. Vasilev, S. Kaloyanova, M. Grabar Branilović, S. Tomić, I. Piantanida10.1002/chem.2011029680947-65392012Chemistry : a European journal18133859-3864
Liquid and solid 4He clusters adsorbed on grapheneVranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, Robert E.

2012International Conference on Quantum Fluids and Solids 2012

P4.33
Method for Estimating SN1 Rate Constants: Solvolytic Reactivity of BenzoatesMatić M., Denegri B., Kronja O.

2012J. Org. Chem.77
8986−8998
Molecular modeling of nucleic acid - small molecule interactionsS. Tomić, M. Grabar Branilović, I. Piantanida

2012Book of Abstracts Regional Biophysical Conference 2012 / Zakrzewska, Joanna, Živić, Miroslav, Andjus, Pavle (ur.). Beograd, Srbija : Društvo biofizičara Srbije (pozvano predavanje, međunarodna recenzija, sažetak, znanstveni)

13-13
Molecular Modelling Of Copper(II) Complexes With Amino Acids In Vacuum, Crystal, And In Aqueous SolutionMarković M.

2012PhD Thesis


Prereactive complexes in chlorination of benzene, triazine, and tetrazine. A quantum chemical studyŠakić D., Vrček V.

2012Journal of physical chemistry A.11641298-1306
QM/MM nonadiabatic decay dynamics of formamide in polar and nonpolar solventsAntol I., Eckert-Maksić M., Vazdar M., Ruckenbauer M., Lischka H.10.1039/C2CP41830D
2012Physical Chemistry Chemical Physics143813262-13272
Ring strain and other factors governing the basicity of nitrogen heterocycles – an interpretation by triadic analysisN. Radić, I. Despotović, R. Vianello

2012Croatica Chemica Acta85
495–504
Structural effects responsible for stability and solvolytic reactivity of sulfonium ionsJurić S., Denegri B., Kronja O.

2012J. Phys. Org. Chem.25
147−152
Tebrophen - an old polyphenol drug with anticancer potentialRubelj, I., Stepanić, V., Jelić, D., Vidaček, N.Š., Kalajžić, A.Ć., Ivanković, M., Nujić, K., Matijašić, M., Verbanac, D.

2012Molecules17
7864-7886
New Algorithms for Generating Arbitrary Kochen-Specker SetsMegill Norman D., Pavičić Mladen

2012Bulletin of the American Physical Society, APS March Meeting 2012, Volume 57, Number 1

Z30.00011-Z30.00011
4He clusters adsorbed on grapheneVranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, Robert

2011The 26th International Conference on Low Temperature Physics (LT26)

349
A Pheromone Trails Model for MAX-MIN Ant SystemIvković N., Golub M., Maleković M.
978-2-9539267-1-2201110th Biennal International Conference on Artificial Evolution, Angers, Francuska, October 24-26, 2011

35-46
Adsorpcija klastera 4HeN i 4HeN3He na površini cezijaStipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Martinić, Tea
978-953-7178-20-820117. znanstveni sastanak HFD-a

109
Adsorption of 4HeN and 4HeN3He clusters on cesiumStipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Martinic, Tea

2011The 26th International Conference on Low Temperature Physics (LT26)

346
Adsorption of helium clusters on grapheneVranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, Robert E

2011Adsorption at the Nanoscale: A New Frontier in Fundamental Science and Applications

12
Base-catalyzed reactions of environmentally relevant N-chloro-piperidines. A quantum-chemical studyŠakić D., Zipse H., Vrček V.

2011Organic & biomolecular chemistry.9114336-4346
Extended Trail Reinforcement Strategies for Ant Colony OptimizationIvković N., Maleković M., Golub M.10.1007/978-3-642-27172-4_780302-97432011Second International Conference, SEMCCO 2011, Visakhapatnam, Andhra Pradesh, India, December 19-21, 2011, Proceedings, Part I, Lecture Notes in Computer Science70761662-669
Ground state of small mixed helium and spin-polarized tritium clusters : A quantum Monte Carlo studyStipanović, Petar; Vranješ Markić, Leandra; Boronat, Jordi; Kezić, Bernarda10.1063/1.3530837
2011The Journal of chemical physics1345054509-1 - 054509-8
Guanidiniocarbonyl-pyrrole-aryl conjugates as nucleic acid sensors: switch of binding mode and spectroscopic responses by introducing additional binding sites into the linkerK. Groger, D. Baretić, I. Piantanida, M. Marjanović, M. Kralj, M. Grabar, S. Tomić, C. Schmuck10.1039/C0OB00103A1477-05202011Organic & biomolecular chemistry91198-209
Intriguing Differences in the Gas-Phase Dissociation Behavior of Protonated and Deprotonated Gonyautoxin EpimersDörr F.A., Kovačević B., Maksić Z.B., Pinto E., Volmer D.A.

2011Journal of the American Society for Mass Spectrometry22112011-2020
Kinetics and Mechanism of Oxidation of Hydroxyurea Derivatives with Hexacyanoferrate(III) in Aqueous SolutionBudimir A., Weitner T., Kos I., Šakić D., Gabričević M., Bešić E., Biruš M.

2011Croatica chemica acta.842133-147
Molecular modeling of new permanently charged phenanthridinium-nucleobase conjugates in complexes with double stranded polynucleotidesM. Grabar, S. Tomić, L.-M. Tumir, I. Piantanida

2011Ninth Triennial Congress of the World Association ot Theoretical and Computational Chemists - Book of Abstracts / Yáñez, Manuel ; Mó, Otilia (ur.). Santiago de Compostela (poster, međunarodna, recenzija, sažetak, znanstveni)

PII 017
Osnovno stanje klastera 4He adsorbiranih na grafenuVranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, E. Robert
978-953-7178-20-820117. znanstveni sastanak HFD-a

90
Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state. Inverted PI_N―SIGMA_N occupational stability of amidyl radicalsNaumov P., Topcu Y., Eckert-Maksić M., Glasovac Z., Pavošević F., Manoj K., Hara H.10.1021/jp203771c1089-56392011Journal of Physical Chemistry115267834-7848
Vibrational analysis of 1-methyl-pyridinium-2-aldoxime and 1-methyl-pyridinium-4-aldoxime cationsV. Mohaček Grošev, B. Foretić, O. Gamulin10.1016/j.saa.2011.01.0121386-14252011Spectrochimica Acta A Molecular and Biomolecular Spectroscopy78
1376-1379
New Insight into Solid-State Molecular Dynamics: Mechanochemical Synthesis of Azobenzene/Triphenylphosphine PalladacyclesCinčić Dominik, Juribašić Marina, Babić Darko, Molčanov Krešimir, Šket Primož, Plavec Janez, Ćurić Manda10.1039/c1cc15377c1359-73452011Chemical communications474111543-11545
Probabilistic Generation of Quantum Contextual SetsMegill Norman D., Fresl Krešimir, Waegell Mordecai, Aravind P.K., Pavičić Mladen10.1016/j.physleta.2011.07.0500375-96012011Physics letters. A375393419-3424
Kochen-Specker Sets and Generalized Orthoarguesian EquationsMegill Norman D., Pavičić Mladen10.1007/s00023-011-0109-01424-06372011Annales henri poincare1271417-1429
New Class of 4-Dim Kochen-Specker SetsPavičić Mladen, Megill Norman. D., Aravind Padmanabhan K., Waegell Mordecai10.1063/1.35495860022-24882011Journal of mathematical physics522022104-1
Parity proofs of the Bell-Kochen-Specker theorem based on the 600-cellWaegell Mordecai, Aravind P.K., Megill Norman D., Pavičić Mladen10.1007/s10701-011-9534-70015-90182011Foundations of physics415883-904
Proofs of the Kochen-Specker theorem based on the 600-cellAravind P.K., Waegell Mordecai, Megill Norman, Pavičić Mladen

2011Bulletin of the American Physical Society, APS March Meeting 2011 Volume 56, Number 2 Monday–Friday, March 21–25, 2011 ; Dallas, Texas

J29.00002-J29.00002
Polycyano Derivatives of some Organic Tri- and Hexacyclic Molecules are Powerful Super- and Hyperacids in the Gas-Phase and DMSO - Computational Study by DFT ApproachVianello Robert, Maksić Zvonimir10.1021/jo101581a0022-32632010Journal of organic chemistry75227670-7681
Experimental and DFT study of 2-ferrocenylpropan-2-ol cyclodimerization productsLapić J., Cetina M., Šakić D., Djaković S., Vrček V., Rapić V.

2010Arkivoc.119257-268
Formamide as the Model Compound for Photodissociation Studies of the Peptide Bond, Kinetics and DynamicsEckert-Maksić M., Antol I., Vazdar M., Barbatti M., Lischka H.
978-90-481-3033-72010Kinetics and Dynamics: From Nano- to Bio-Scale / Paneth, P.; Dybala-Defratyka, A. (ur.). Netherlands : Springer

77-107
Ground-state properties of small mixed helium and spin-polarized tritium clustersStipanović, Petar; Vranješ Markić, Leandra; Boronat, Jordi

2010QFS2010 : International Symposium on Quantum Fluids and Solids

112
Interaction of phosphonium cyanine dyes with DNAM. Grabar, S. Tomić, L.-M. Tumir, I. Piantanida, I. Crnolatac, T. Deligeorgiev, A. Vasilev, S. Kaloyanova

2010Abstracts of the Fourth Humboldt Conference on Computational Chemistry / Petrova, P. Galina ; Vayssilov, N. Georgie (ur.). Sofia (poster, međunarodna recenzija, sažetak, znanstveni)

62
Molecular modelling of phosphonium cyanine dyes in complex with DNAM. Grabar, S. Tomić, L.-M. Tumir, I. Piantanida, I. Crnolatac

2010Book of Abstracts of the The 5th Central European Conference - Chemistry towards Biology; Zagreb, IRB (poster, međunarodna recenzija, sažetak, znanstveni)

85
Nuclear Magnetic Resonance Parameters of Water HexamersBilalbegović G.

2010J. Phys. Chem. A1142715-720
Optical spectrum of proflavine and its ionsBonaca A., Bilalbegović G.

2010Chemical physics letters


Polycyano derivatives of some organic tri– and hexacyclic molecules are powerful super– and hyperacids in the gas phase and DMSO: computational study by DFT approachR. Vianello, Z. B. Maksić

2010Journal of Organic Chemistry22
7670–7681
Unusual azobenzene/bipyridine palladacycles: structural, dynamical, photophysical and theoretical studiesJuribašić Marina, Ćurić Manda, Molčanov Krešimir, Matković-Čalogović Dubravka, Babić Darko10.1039/C0DT00018C1477-92262010Dalton transactions39378769-8778
Hilbert Lattice EquationsMegill Norman D., Pavičić Mladen10.1007/s00023-009-0019-61424-06372010Annales Henri Poincaré1071335-1358
Graph Approach to Quantum SystemsPavičić Mladen, McKay Brendan D., Megill Norman D., Fresl Krešimir10.1063/1.34917660022-24882010Journal of mathematical physics5110102103-1
New Kochen-Specker Sets in Four DimensionsPavičić Mladen, Megill Norman D., Merlet Jean-Pierre10.1016/j.physleta.2010.03.0190375-96012010Physics letters. A374212122-2128
Acidifying Effect of an N–Oxide group – A Useful Motif in Enhancing Acidity towards Superacidic ValuesR. Vianello

2009Croat. Chem. Acta82
27–39
The engineering of powerful non-ionic superacids in silico - a DFT-B3LYP study of open chain polycyanopolyenesVianello Robert, Maksić Zvonimir10.1039/b816922e1144-05462009New Journal of Chemistry334739-748
Basicity of organic bases and superbases in acetonitrile by the polarized continuum model and DFT calculationsGlasovac Z., Eckert-Maksić M. , Maksić Z.B.

2009New J. Chem.33
588–597
Chlorination of ammonia and aliphatic amines by Cl2: DFT study of medium and substituent effectsVrček V., Meštrić H.

2009J. Phys. Org. Chem.22
59–68
Superbasicity of a Bis-guanidino Compound with a Flexible Linker : A Theoretical and Experimental StudyColes Martyn P., Aragon-Saez Pedro J., Oakley Sarah H., Hitchcock Peter B., Davidson Matthew G., Maksić Zvonimir, Vianello Robert, Leito Ivo, Kaljurand Ivari, Apperley David C.10.1021/ja906618g0002-78632009Journal of the American Chemical Society1314616858-16868
Acidifying Effect of an N-Oxide Group - A Useful Motif in Enhancing Acidity towards Superacidic ValuesVianello Robert
0011-16432009Croatica Chemica Acta82127-39
Coordination chemistry of nickel(II) nitrate with superbasic guanidines as studied by electrospray mass spectrometryGlasovac Z., Štrukil V., Eckert-Maksić M., Schroeder D., Schlangen M., Schwarz H.

2009International Journal of Mass Spectrometry


Difuzne spektralne vrpce međuzvjezdane tvari: optički spektar proflavinaBonaca A.

2009Link


Klasteri helija adsorbirani na površini cezijaStipanović, Petar; Martinić, Tea; Vranješ Markić, Leandra
978-953-7178-12-320096. znanstveni sastanak HFD-a

169
Mali miješani klasteri helija i spin-polariziranog tricijaStipanović, Petar; Kežić, Bernarda; Vranješ Markić, Leandra
978-953-7178-12-320096. znanstveni sastanak HFD-a

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Proton Affinities of Didehydroporphyrin and Subporphyrin in Ground and Excited States Obtained by Quantum Chemical CalculationsGlasovac Z., Vazdar M., Margetic D.

2009Croat. Chem. Acta82163-70
Rearrangemements in Piperidine-Derived Nitrogen-Centered Radicals. A Quantum-Chemical StudyVrček V., Zipse H.

2009J. Org. Chem.74
2947–2957
Structure Prediction of Bis(amino acidato)copper(II) Complexes with a New Force Field for Molecular ModelingSabolović J., Gomzi V.

2009Journal of Chemical Theory and Computation571940-1954
Superbasicity of a Bis–guanidino Compound with a Flexible Linker: A Theoretical and Experimental StudyM. P. Coles, P. J. Aragón-Sáez, S. H. Oakley, P. B. Hitchcock, M. G. Davidson, Z. B. Maksić, R. Vianello, I. Leito, I. Kaljurand, D. C. Apperley

2009J. Am. Chem. Soc.131
16858–16868
TDDFT study of nucleobase thioanalogues and oxo-derivatives excited statesGomzi V.

2009Journal of Theoretical and Computational Chemistry8171-83
The engineering of powerful non–ionic superacids in silico – a DFT–B3LYP study of open chain polycyanopolyenesR. Vianello, Z. B. Maksić

2009New J. Chem.33
739–748
Zwitterionic structures of strained cis-pyramidalized disilenes: fact or artifactGlasovac Z., Antol I., Vazdar M., Margetic D.10.1007/s00214-009-0633-x
2009Theor Chem Acc12405.lip421-430
Spectroscopic and DFT study of 3-quinolyl-alpha-aminophosphonatesJuribašić Marina, Tušek-Božić Ljerka10.1016/j.molstruc.2008.11.0070022-28602009Journal of molecular structure924-926
66-72
Exhaustive Generation of Orthomodular Lattices with Exactly One Non-Quantum StatePavičić Mladen10.1016/S0034-4877(10)00005-40034-48772009Reports on mathematical physics643417-428
A new cytosine-copper paramagnetic complex Spectroscopic studyKrilov D., Gomzi V., Herak J.N.

2008Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy7051238-1242
Rees polycyanated hydrocarbons and related compounds are extremely powerful Broensted superacids in the gas-phase and DMSO - a density functional B3LYP studyVianello Robert, Maksić Zvonimir10.1039/B713173A1144-05462008New journal of chemistry323413-427
DFT study of sulfur centred radicals formed in 5-methylcytosine hemihydrate crystal doped with 5-methyl-2-thiocytosineGomzi V.

2008Molecular Physics106111419-1425
EPR study of a sulfur-centered π radical in γ -irradiated single crystal of 2-thiothymineBešić E., Gomzi V.

2008Journal of Molecular Structure87601.ožu234-239
Radicals formed in cytosine– hydrochloridethiocytosine) single crystals: Insights from a DFT studyGomzi V.

2008Journal of Molecular Structure - Theochem86001.ožu137-140
Rees polycyanated hydrocarbons and related compounds are extremely powerful Broensted superacids in the gas-phase and DMSO – a density functional B3LYP studyR. Vianello, Z. B. Maksić

2008New J. Chem.32
413–427
Design of Bronsted Neutral Organic Bases and Superbases by Computational DFT Methods: Cyclic and Polycyclic Quinones and [3]CarbonylradialenesDespotović Ines, Maksić Zvonimir, Vianello Robert
1434-193X2007European Journal of Organic Chemistry2007203402-3413
Interpretation of Broensted Acidity by Triadic Paradigm: A G3 Study of Mineral AcidsVianello Robert, Maksić Zvonimir
1089-56392007Journal of Physical Chemistry A1114511718-11724
Computational design of Bronsted neutral organic superbases - [3]iminoradialenes and quinonimines are important synthetic targetsDespotović Ines, Maksić Zvonimir, Vianello Robert
1144-05462007New Journal of Chemistry31
52-62
Computational design of Brønsted neutral organic superbases – [3]iminoradialenes and quinonimines are important synthetic targetsI. Despotović, Z. B. Maksić, R. Vianello

2007New J. Chem.31
52–62
Hydride Affinities of Substituted Alkenes: Their Prediction by Density Functional Calculations and Rationalisation by Triadic FormulaVianello Robert, Peran Nena, Maksić Zvonimir
1434-193X2007European Journal of Organic Chemistry4
526-539
Design of Brønsted Neutral Organic Bases and Superbases by Computational DFT Methods: Cyclic and Polycyclic Quinones and [3]CarbonylradialenesI. Despotović, Z. B. Maksić, R. Vianello

2007Eur. J. Org. Chem.

3402–3413
DFT Study of Rearrangements in Cyclopentylheptenyl CarbocationsVrček V.

2007International Journal of Quantum Chemistry107
1772–1781
Hydride Affinities of Substituted Alkenes: Their Prediction by Density Functional Calculations and Rationalization by Triadic FormulaR. Vianello, N. Peran, Z. B. Maksić

2007Eur. J. Org. Chem.

526–539
Hyperstrong Neutral Organic Bases: Phosphazeno azacalix[3](2, 6)pyridinesI. Despotović, B. Kovačević, Z. B. Maksić

2007Org. Lett.9
4709
Interpretation of Brønsted Acidity by Triadic Paradigm: A G3 Study of Mineral AcidsR. Vianello, Z. B. Maksić

2007J. Phys. Chem. A111
11718–11724
Pyridine and s–triazine as building blocks of nonionic organic superbases – a density functional theory B3LYP studyI. Despotović, B. Kovačević, Z. B. Maksić

2007New J. Chem.31
447
The Journal of Physical Chemistry ADoslic N., Kovacevic G., Ljubic I.10.1021/jp072565o8650–86582007The Journal of Physical Chemistry A111358650–8658
Engineering Neutral Organic Bases and Superbases by Computational DFT Methods - Carbonyl PolyenesDespotović Ines, Maksić Zvonimir, Vianello Robert
1434-193X2006European Journal of Organic Chemistry24
5505-5514
Hydride Affinities of some Substituted Alkynes - Prediction by DFT Calculations and Rationalization by Triadic FormulaVianello Robert, Peran Nena, Maksić Zvonimir
1089-56392006The Journal of Physical Chemistry A1104712870-12881
Engineering Neutral Organic Bases and Superbases by Computational DFT Methods – Carbonyl PolyenesI. Despotović, Z. B. Maksić, R. Vianello

2006Eur. J. Org. Chem.

5505–5514
Triadic analysis of substituent effects - gas-phase acidity of para-substituted phenolsVianello Robert, Maksić Zvonimir
0040-40202006Tetrahedron62
3402-3411
Hydride Affinities of Some Substituted Alkynes: Prediction by DFT Calculations and Rationalization by Triadic FormulaR. Vianello, N. Peran, Z. B. Maksić

2006J. Phys. Chem. A110
12870–12881
Triadic analysis of substituent effects – gas–phase acidity of para–substituted phenolsR. Vianello, Z. B. Maksić

2006Tetrahedron62
3402–3411
A Novel Approach in Analyzing Aromaticity by Homo– and Isostructural Reactions: An Ab Initio Study of FluorobenzenesD. Barić, B. Kovačević, Z. Maksić, T. Mueller

2005J. Phys. Chem. A109
10594–10606
Kochen-Specker VectorsPavičić M., Merlet J.P., McKay B.D., Megill N.D.

2005Journal of Physics A: Mathematical and General3871577-1592
Extending Acidity Ladder of Neutral Organic Superacids - A DFT-B3LYP Study of Deprotonation of NonacyanofluoreneMaksić Zvonimir, Vianello Robert
0040-40392004Tetrahedron letters45
8663-8666
Dominant Role of the PI Framework in CyclobutadieneKovačević B., Barić D., Maksić Z.B. i Mueller T.

2004J. Phys. Chem. A108
9126-9133
Extending the acidity ladder of neutral organic superacids — a DFT-B3LYP study of deprotonation of nonacyanofluoreneMaksić Z.B. i Vianello R.

2004Tetrahedron Letters45
8663–8666
Kekulenoid Addition Patterns for Fullerenes and Some Lower HomologsBabić D., Došlić T., Klein D.J., Misra A.

2004Bull. Chem. Soc. Jpn.77
2003–2010
Kochen-Specker Algorithms for Qubits in Quantum Communication, Measurement and ComputingPavičić M., Barnett S.M., Andersson E., Jeffers J., Oehberg P., Hirota O. Melville

2004American Institute of Physics

195-198
Structural and electronic properties of MgO nanotube clustersBilalbegovic G.

2004Physical Review B70
45407
The Origin of Antiaromaticity – A Dominant Role of π–Framework in CyclobutadieneB. Kovačević, D. Barić, Z. Maksić, T. Mueller

2004J. Phy. Chem. A108
9126–9133
The Origin of Aromaticity: Important Role of the Sigma Framework in BenzeneKovačević B., Barić D., Maksić Z.B. i Mueller T.

2004ChemPhysChem5
1352-1364
Acidity of Substituted Benzenes - An Ab Initio Study of the Influence of MethoxyKovačević B., Maksić Z.B., Primorac M.

2003Eur. J. Org. Chem.

3777-3783


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