| Modeling and synthesis of novel oxime derivatives as potential cholinesterase inhibitors | Ratković Ana, Pavlović Kristina, Barić Danijela, Marinić Željko, Grgičević Ivan, Škorić Irena | 10.1016/j.molstruc.2019.127149 | 0022-2860 | 2020 | Journal of molecular structure | 1200 | | 127149-127149 |
| Covalent modification of phosphatidylethanolamine by 4-hydroxy-2-nonenal increases sodium permeability across phospholipid bilayer membranes | Jovanović Olga, Škulj Sanja, Pohl Elena E., Vazdar Mario | 10.1016/j.freeradbiomed.2019.08.027 | 0891-5849 | 2019 | Free radical biology & medicine | 143 | | 433-440 |
| Utilizing the Azaazulene Scaffolds in the Design of New Organic Superbases | Barić Danijela | 10.1021/acsomega.9b02087 | | 2019 | ACS Omega | 4 | 12 | 15197-15207 |
| Inquisitive Geometric Sites in h-BN Monolayer for Alkali Earth Metal Ion Batteries | Kansara Shivam, Gupta Sanjeev K., Sonvane Yogesh, Varga Pajtler Maja, Ahuja Rajeev | 10.1021/acs.jpcc.9b04498 | 1932-7447 | 2019 | The Journal of Physical Chemistry C | 123 | 32 | 19340-19346 |
| Prospects for experimental realization of two-dimensional aluminium allotropes | Lukačević Igor, Varga Pajtler Maja, Mužević Matko, Gupta Sanjeev K. | 10.1039/C8TC04718A | 2050-7526 | 2019 | Journal of Materials Chemistry C | 7 | 9 | 2666-2675 |
| Hypergraph Contextuality | Pavičić Mladen | 10.3390/e21111107 | 1099-4300 | 2019 | Entropy (Basel. Online) | 21 | 11 | 1107-1 |
| New zinc ion parameters suitable for classical MD simulations of zinc metallo-peptidases | Tomić Antonija, Horvat Gordan, Ramek Michael, Agić Dejan, Brkić Hrvoje, Tomić Sanja | 10.1021/acs.jcim.9b00235 | 1549-9596 | 2019 | Journal of chemical information and modeling | 59 | 8 | 3437-3453 |
| Vector generation of contextual sets | Pavičić Mladen, Megill Norman D. | | | 2019 | EPJ Web of Conferences Volume 198 (2019) Quantum Technology International Conference 2018 (QTech 2018) | | | - |
| Universality of size-energy ratio in four-body systems | Stipanović Petar, Vranješ Markić Leandra, Gudyma Andrii, Boronat Jordi | 10.1038/s41598-019-42312-9 | 2045-2322 | 2019 | Scientific Reports | 9 | 1 | 6289(1)-6289(8) |
| Automated generation of Kochen-Specker sets | Pavičić Mladen, Waegell Mordecai, Megill Norman D., Aravind P. K. | 10.1038/s41598-019-43009-9 | 2045-2322 | 2019 | Scientific Reports | 9 | 1 | - |
| Calculation of Apparent pKa Values of Saturated Fatty Acids with Different Lengths in DOPC Phospholipid Bilayers | Škulj Sanja, Vazdar Mario | 10.1039/C9CP01204D | 1463-9076 | 2019 | PCCP. Physical chemistry chemical physics | 21 | 19 | 10052-10060 |
| Revisited Mechanism of Reaction between a Model Lysine Amino Acid Side Chain and 4-Hydroxynonenal in Different Solvent Environments | Škulj Sanja, Vazdar Katarina, Margetić Davor, Vazdar Mario | 10.1021/acs.joc.8b02231 | 0022-3263 | 2019 | Journal of organic chemistry | 84 | 2 | 526-535 |
| Improving electron transport in the hybrid perovskite solar cells using CaMnO3-based buffer layer | Pandey Kavita, Singh Deobrat, Gupta Sanjeev Kumar, Yadav Pankaj, Sonvane Yogesh, Lukačević Igor, Kumar Manjeet, Kumar Manoj, Ahuja Rajeev | 10.1016/j.nanoen.2018.01.009 | 2211-2855 | 2018 | Nano Energy | 45 | | 287-297 |
| Design of Exceptionally Strong Organic Superbases Based on Aromatic Pnictogen Oxides: Computational DFT Analysis of the Oxygen Basicity in the Gas Phase and Acetonitrile Solution | Tandarić Tana, Vianello Robert | 10.1021/acs.jpca.7b11945 | 1089-5639 | 2018 | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory | 122 | 5 | 1464-1471 |
| A DFT/PCM-based methodology for predicting solvolytic reactivities of organic carbonates | Matić Mirela, Denegri Bernard | 10.1039/C8OB00917A | 1477-0520 | 2018 | Organic & biomolecular chemistry | 16 | 25 | 4665-4674 |
| Mechanism of Mechanochemical C–H Bond Activation in an Azobenzene Substrate by Pd(II) Catalysts | Bjelopetrović Alen, Lukin Stipe, Halasz Ivan, Užarević Krunoslav, Đilović Ivica, Barišić Dajana, Budimir Ana, Juribašić Kulcsar Marina, Ćurić Manda | 10.1002/chem.201802403 | 0947-6539 | 2018 | Chemistry : a European journal | 24 | 42 | 10672-10682 |
| Benzoylguanidines as the Anion Responsive Systems | Glasovac Zoran, Barešić Luka, Antol Ivana, Margetić Davor | | | 2018 | ChemPlusChem | | | - |
| Ferrocenyl GNA nucleosides: a bridge between organic and organometallic xeno-nucleic acids | Kowalski Konrad, Skiba Joanna , Yuan Qing, Hildebrandt Alexander, Trzybinski Damian, Wozniak Krzystof, Balogh Ria, Gyurcsik Bela, Vrček Valerije | 10.1002/cplu.201700551 | 2192-6506 | 2018 | ChemPlusChem | 83 | 2 | 77-86 |
| 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-Isoleucine | Pejić Jelena, Vušak Darko, Szalontai Gábor, Prugovečki Biserka, Mrvoš-Sermek Draginja, Matković-Čalogović Dubravka, Sabolović Jasmina | https://pubs.acs.org/doi/10.1021/acs.cgd.8b00589 | 1528-7483 | 2018 | Crystal Growth & Design | 18 | 9 | 5138-5154 |
| Harmonically trapped Bose-Bose mixtures: a quantum Monte Carlo study | V. Cikojević , L. Markic Vranješ , J. Boronat | 10.1088/1367-2630/aad6cc | 1367-2630 | 2018 | New journal of physics | 20 | 085002 | - |
| Ultradilute quantum liquid drops | Cikojević Viktor, Dželalija Krešimir, Stipanović Petar, Vranješ Markić Leandra, Boronat Jordi | 10.1103/physrevb.97.140502 | 2469-9950 | 2018 | Physical Review B | 97 | 14 | - |
| Vector Generation of Quantum Contextual Sets in Even Dimensional Hilbert Spaces | Pavičić Mladen, Megill Norman D. | 10.3390/e20120928 | 1099-4300 | 2018 | Entropy (Basel. Online) | 20 | 12 | - |
| Tetrahedral hydrocarbon nanoparticles in space: X-ray spectra | Bilalbegović Goranka, Maksimović Aleksandar, Valencic Lynne | 10.1093/mnras/sty607 | 0035-8711 | 2018 | Monthly notices of the Royal Astronomical Society | 476 | 4 | 5358-5364 |
| Structure of Helium–Alkali Pentamers | Stipanović Petar, Vranješ Markić Leandra | 10.1007/s00601-018-1367-x | 0177-7963 | 2018 | Few-body systems | 59 | 3 | - |
| Ground-state characteristics of helium–alkali tetramers | Stipanović Petar, Vranješ Markić Leandra | 10.1088/1361-6455/aacb45 | 0953-4075 | 2018 | Journal of Physics B: Atomic, Molecular and Optical Physics | 51 | 15 | - |
| Structural and computational analysis of intermolecular interactions in a new 2- thiouracil polymorph | Fabijanić Ivana, Matković-Čalogović Dubravka, Pilepić Viktor, Sanković Krešimir | 10.1107/s205322961701542x | 2053-2296 | 2017 | Acta Crystallographica Section C-Structural Chemistry | 73 | 12 | 1078-1086 |
| New investigations of the guanine trichloro cuprate(II) complex crystal | Ivana Fabijanic, Dubravka Matkovic-Calogovic, Viktor Pilepic , Irena Ivanisevic, Vlasta Mohacek-Grosev, Kresimir Sankovic | 10.1016/j.molstruc.2016.08.069 | | 2017 | Journal of Molecular Structure | 1128 | | 317-324 |
| Fluorescent benzimidazo[1, 2-a]quinolines: Synthesis, spectroscopic and computational studies of protonation equilibria and metal ion sensitivity | Hranjec Marijana, Horak Ema, Babić Darko, Plavljanin Sanela, Srdović Zrinka, Murković Steinberg Ivana, Vianello Robert, Perin Nataša | 10.1039/C6NJ02268E | 1144-0546 | 2017 | New journal of chemistry | 41 | 1 | 358-371 |
| 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 evaluation | Gregorić Tomislav, Sedić Mirela, Grbčić Petra, Tomljenović Paravić Andrea, Kraljević Pavelić Sandra, Cetina Mario, Vianello Robert, Raić-Malić Silvana | 10.1016/j.ejmech.2016.11.028 | 0223-5234 | 2017 | European journal of medicinal chemistry | 125 | | 1247-1267 |
| What a difference a methyl group makes - the selectivity of monoamine oxidase B towards histamine and N-methylhistamine | Maršavelski Aleksandra, Vianello Robert | 10.1002/chem.201605430 | 0947-6539 | 2017 | Chemistry : a European journal | 23 | 12 | 2915-2925 |
| Arbitrarily exhaustive hypergraph generation of 4-, 6-, 8-, 16-, and 32-dimensional quantum contextual sets | Pavičić Mladen | 10.1103/PhysRevA.95.062121 | 2469-9934 | 2017 | Physical Review A | 95 | 6 | - |
| Reversible Gas−Solid Ammonia N−H Bond Activation Mediated by an Organopalladium Complex | Juribašić Kulcsar Marina, Halasz Ivan, Budimir Ana, Užarević Krunoslav, Lukin Stipe, Monas Andrea, Emmerling Franziska, Plavec Janez, Ćurić Manda | 10.1021/acs.inorgchem.7b00422 | 0020-1669 | 2017 | Inorganic chemistry | 56 | 9 | 5342-5351 |
| Solvolytic Behavior of Aryl and Alkyl Carbonates. Impact of the Intrinsic Barrier on Relative Reactivities of Leaving Groups | Matić Mirela, Katić Matija, Denegri Bernard, Kronja Olga | 10.1021/acs.joc.7b00885 | 0022-3263 | 2017 | Journal of organic chemistry | 82 | 15 | 7820-7831 |
| New Classes of Kochen-Specker Contextual Sets | Megill Norman D., Pavičić Mladen | | | 2017 | Proceedings 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 systems | Sabolović Jasmina, Ramek Michael, Marković Marijana | 10.1007/s00894-017-3448-z | 1610-2940 | 2017 | Journal of molecular modeling | 23 | | 290-1 |
| Pronounced conformational flexibility of physiological (L-histidinato)(L-threoninato)copper(II) in aqueous solution disclosed by a quantum chemical study | Ramek Michael, Marković Marijana, Loher Caludia, Sabolović Jasmina | 10.1016/j.poly.2017.06.041 | 0277-5387 | 2017 | Polyhedron | 135 | | 121-133 |
| Localization improvement of deuterium uptake in hydrogen/deuterium exchange in proteins | Babić Darko, Smith David M. | 10.1002/cem.2876 | 0886-9383 | 2017 | Journal of chemometrics | 31 | 3 | e2876-1 |
| Reduction Potential of Ferrocenoyl-Substituted Nucleobases. Experimental and Computational Study | Havaić Valentina, Djaković Senka, Lapić Jasmina, Weitner Tin, Šakić Davor, Vrček Valerije | 10.5562/cca3229 | 0011-1643 | 2017 | Croatica chemica acta | 90 | 4 | 589-594 |
| Missing Fe: hydrogenated iron nanoparticles | Bilalbegović Goranka, Maksimović Aleksandar, Mohaček-Grošev Vlasta | 10.1093/mnrasl/slw226 | 1745-3925 | 2017 | Monthly Notices of the Royal Astronomical Society | 466 | 1 | L14-L18 |
| Structure of Halo and Quasi-halo Helium–Helium– Alkali Trimers | Stipanović Petar, Vranješ Markić Leandra, Boronat Jordi | 10.1007/s00601-017-1288-0 | 0177-7963 | 2017 | Few-body systems | 58 | | 123-1 |
| Quantum Halo States in Helium Tetramers | Stipanović Petar, Vranješ Markić Leandra, Boronat Jordi | 10.1021/acs.jpca.6b10656 | 1089-5639 | 2017 | Journal of Physical Chemistry A | 121 | 1 | 308-314 |
| Ground-state properties of weakly bound helium- alkali trimers | Stipanović Petar, Vranješ Markić Leandra, Zarić Darko, Boronat Jordi | 10.1063/1.4973381 | 0021-9606 | 2017 | The Journal of chemical physics | 146 | | 014305-1 |
| Tuning Ag29 nanocluster light emission from red to blue with one and two-photon excitation | Russier-Antoine, Isabelle; Bertorelle, Franck; Hamouda, Ramzi.; Rayane, Driss; Dugourd, Philippe; Sanader, Željka; Bonačić-Koutecký, Vlasta; Brevet, Pierre-Francois; Antoine, Rodolphe | 10.1039/C5NR08122J | | 2016 | Nanoscale | 8 | | 2892-2898 |
| Two-photon absorption of ligand-protected Ag15 nanoclusters. Towards a new class of nonlinear optics nanomaterials | Sanader, Zeljka; Krstic, Marjan; Russier-Antoine, Isabelle; Bertorelle, Franck; Dugourd, Philippe; Brevet, Pierre-François; Antoine, Rodolphe; Bonačić-Koutecký, Vlasta | 10.1039/C6CP00207B | | 2016 | Physical Chemistry Chemical Physics | 18 | | 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 Enzymes | Vianello Robert, Domene Carmen, Mavri Janez | 10.3389/fnins.2016.00327 | 1662-453X | 2016 | Frontiers in Neuroscience | 10 | | - |
| Vapour-induced solid-state C–H bond activation for the clean synthesis of an organopalladium biothiol sensor | Monas Andrea, Užarević Krunoslav, Halasz Ivan, Juribašić Kulcsar Marina, Ćurić Manda | 10.1039/c6cc06062e | 1359-7345 | 2016 | Chemical communications | 52 | 88 | 12960-12963 |
| The role of negative hyperconjugation in decomposition of bicarbonate and organic carbonate anions | Denegri Bernard, Matić Mirela, Kronja Olga | 10.1002/slct.201601357 | 2365-6549 | 2016 | ChemistrySelect | 1 | 16 | 5250-5259 |
| Classical Logic and Quantum Logic with Multiple and Common Lattice Models | Pavičić Mladen | 10.1155/2016/6830685 | 1687-9120 | 2016 | Advances in Mathematical Physics | 2016 | | 6830685-1 |
| Massive Generation of Contextual Quantum Sets | Pavičić Mladen. | | | 2016 | EMN 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 Study | Marković Marijana, Ramek Michael, Loher Claudia, Sabolović Jasmina | 10.1021/acs.inorgchem.6b01157 | 0020-1669 | 2016 | Inorganic chemistry | 55 | 15 | 7694-7708 |
| Elusive structure of helium trimers | Stipanović Petar, Vranješ Markić Leandra, Boronat Jordi | 10.1088/0953-4075/49/18/185101 | 0953-4075 | 2016 | Journal of physics. B, Atomic molecular and optical physics | 49 | 18 | 185101-1 |
| Solidification of He-4 clusters adsorbed on graphene | Vranješ Markić Leandra, Stipanović Petar, Bešlić Ivana, Zillich Robert E. | 10.1103/PhysRevB.94.045428 | 2469-9950 | 2016 | Physical Review B | 94 | 4 | 045428-1 |
| The DFT local reactivity descriptors of alpha-tocopherol | Fabijanić Ivana, Jakobušić Brala Cvijeta, Pilepić Viktor | 10.1007/s00894-015-2644-y | 1610-2940 | 2015 | Journal of molecular modeling | 21 | | 99-1 |
| Human 3-hydroxyanthranilate 3, 4-dioxygenase (3HAO) dynamics and reaction, a multilevel computational study | Brkić, Hrvoje; Kovačević, Borislav; Tomić, Sanja | | | 2015 | Molecular biosystems | 11 | | 898-907 |
| Mechanochemical reactions studied by in situ Raman spectroscopy : base catalysis in liquid-assisted grinding | Tireli Martina, Juribašić Kulcsar Marina, Cindro Nikola, Gracin Davor, Biliškov Nikola, Borovina Mladen, Ćurić Manda, Halasz Ivan, Užarević Krunoslav | 10.1039/c5cc01915j | 1359-7345 | 2015 | Chemical communications | 51 | 38 | 8058-8061 |
| A comparison of force fields for ethanol-water mixtures | Mijaković M., Polok K., Kežić B., Sokolić F., Perera A., Zoranić L. | | 0892-7022 | 2014 | Molecular Simulation | | | 1029-0435 |
| A New Ant Colony Optimization Algorithm: Three Bound Ant System | Ivkovic N., Golub M. | | 0302-9743 | 2014 | 9th International Conference, ANTS 2014, Brussels, Belgium, September 10-12, 2014. Proceedings Series: Lecture Notes in Computer Science | 8667 | | 280-281 |
| Acetamide as the Model of the Peptide Bond: Nonadiabatic Photodynamical Simulations in the Gas Phase and in the Argon Matrix | Eckert-Maksić M., Antol I., Vazdar M. | 10.1016/j.comptc.2014.02.025 | | 2014 | Computational and Theoretical Chemistry | 1040-1041 | | 136-143 |
| Aging and Ball Milling as Low-Energy and Environmentally-Friendly Methods for the Synthesis of Pd(II) Photosensitizers | Juribašić M., Halasz I., Babić D., Cinčić D., Plavec J., Ćurić M. | | | 2014 | Journal: Organometallics; Conference: Hot Topics in Contemporary Crystallography 2014, HTCC2014, Šibenik, Hrvatska, 10.-15.5.2014. | 33 | 5 | 1227-1234 |
| Chlorination of N-Methylacetamide and Amide-Containing Pharmaceuticals. Quantum-Chemical Study of the Reaction Mechanism | Šakić D., Šonjić P., Tandarić T., Vrček V. | | | 2014 | The journal of physical chemistry A. | 118 | 12 | 2367-2376 |
| Computational study of the IRES subdomain IIa structural plasticity and the ligand binding affinity | M. Grabar Branilović, S. Tomić | | | 2014 | Chemistry 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 IIa | M. Grabar Branilović, S. Tomić | 10.1039/c4mb00469h | 1742-206X | 2014 | Molecular biosystems | 10 | 12 | 3272-3279 |
| Constrained-Geometry Bisphosphazides Derived from 1, 8-Diazidonaphthalene: Synthesis, Spectroscopic Characteristics, Structural Features, and Theoretical Investigations | J.F. Kögel, N.C. Abacılar, F. Weber, B. Oelkers, K. Harms, B. Kovačević, J. Sundermeyer | | | 2014 | Chemistry - A European Journal | 20 | 20 | 5994-6009 |
| Cyclopropenimine as a hydrogen bond acceptor—towards the strongest non-phosphorus superbases | D. Barić, I. Dragičević, B. Kovačević | | | 2014 | Tetrahedron | 70 | 25 | 8571-8576 |
| Decay Mechanisms of Protonated 4-Quinolone Antibiotics After Electrospray Ionization and Ion Activation | B. Kovačević, P. Schorr, Y. Qi, D.A. Volmer | | | 2014 | Journal of The American Society for Mass Spectrometry | 25 | 11 | 1974-1986 |
| Do cement nanoparticles exist in space? | G. Bilalbegović, A. Maksimović, V. Mohaček-Grošev | 10.1093/mnras/stu869 | 0035-8711 | 2014 | Monthly Notices of the Royal Astronomical Society | 442 | | 1319-1325 |
| Effect of Intramolecular Hydrogen Bonds on the Gas-phase Basicity of Guanidines | Glasovac, Z., Eckert-Maksić M. | 10.1071/CH14182 | 0004-9425 | 2014 | Australian journal of chemistry | 67 | 7 | 1056-1062 |
| Eksperimentalno utemeljeno modeliranje interakcija nukleinskih kiselina i malih molekula | M. Grabar Branilović | | | 2014 | PhD Thesis | | | |
| Guanidine and guanidinium cation in the excited state—theoretical investigation | Antol I., Glasovac Z., Crespo-Otero R., Barbatti M. | 10.1063/1.4892569 | 0021-9606 | 2014 | The journal of chemical physics | 141 | 7 | 074307-1-10 |
| Mechanochemical C–H Bond Activation: Rapid and Regioselective Double Cyclopalladation Monitored by in situ Raman Spectroscopy | Juribašić M., Užarević K., Gracin D., Ćurić M., | | | 2014 | Chemical communications | 50 | 71 | 10287-10290 |
| Memory of chirality in the phthalimide photocyclization of adamantane dipeptides | Šumanovac Ramljak T., Sohora M., Antol I., Kontrec D., Basarić N., Mlinarić-Majerski K. | 10.1016/j.tetlet.2014.05.118 | | 2014 | Tetrahedron letters | 55 | | 4078-4081 |
| 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 Spectra | Szalontai G., Sabolović J., Marković M., Balogh S. | 10.1002/ejic.201300746 | 1099-0682 | 2014 | European journal of inorganic chemistry | 2014 | | 3330-3340 |
| Structure, defects, and strain in silicon-silicon oxide interfaces | Kovacevic G., Pivac B. | 10.1063/1.4862809 | | 2014 | Journal of Applied Physics | 115 | 4 | |
| Sulfur-bearing species in molecular clouds | G. Bilalbegović, G. Baranović | 10.1093/mnras/stu2313 | 0035-8711 | 2014 | Monthly Notices of the Royal Astronomical Society (MNRAS) | 446 | 3 | 3118-3129 |
| Superbasic Alkyl-Substituted Bisphosphazene Proton Sponges: Synthesis, Structural Features, Thermodynamic and Kinetic Basicity, Nucleophilicity and Coordination Chemistry | J.F. Kögel, X. Xie, E. Baal, D. Gesevičius, B. Oelkers, B. Kovačević, J. Sundermeyer | | | 2014 | Chemistry - A European Journal | 20 | 25 | 7670-7685 |
| 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 | | 2014 | Chemistry : a European journal. | | | |
| The average local ionization energy and Fukui function of L-ascorbate, the local reactivity descriptors of antioxidant reactivity | C. Jakobušić Brala, I. Fabijanić, A. Karković Marković, V. Pilepić | 10.1016/j.comptc.2014.09.008 | | 2014 | Computational and Theoretical Chemistry | 1049 | | 01.lip |
| The Stability of Nitrogen-Centered Radicals, Organic & biomolecular chemistry | Hioe J., Šakić D., Vrček V., Zipse H. | | | 2014 | | 1 | 1 | 01.sij |
| Universality in molecular halo clusters | Stipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Boronat, Jordi | 10.1103/PhysRevLett.113.253401 | | 2014 | Physical Review Letters | 113 | 25 | 253401 - 253405 |
| Vibrational Analysis of 3-Glycidoxypropyltrimethoxysilane Polymer | Movre Šapić I., Bistričić L., Volovšek V., Dananić V. | 10.1002/masy.201300145 | 1521-3900 | 2014 | Macromolecular Symposia | 339 | 1 | 122-129 |
| 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 study | Marković, M., Ramek M., Sabolović J. | 10.1002/ejic.201300746 | 1099-0682 | 2014 | European journal of inorganic chemistry | 2014 | 1 | 198-212 |
| A DFT-based model for calculating solvolytic reactivity. The nucleofugality of aliphatic carboxylates in terms of Nf parameters | Denegri Bernard, Matić Mirela, Kronja Olga | 10.1039/C4OB00563E | 1477-0520 | 2014 | Organic & biomolecular chemistry | 12 | 30 | 5698-5709 |
| Obtaining massive data sets for contextual experiments in quantum information | Pavičić Mladen | | | 2014 | Information and Communication Technology, Electronics and Microelectronics (MIPRO), 2014 37th International Convention on. | | | 332-335 |
| 4He clusters adsorbed on graphene | Vranješ Markić, Leandra; Stipanović, Petar; Bešlić, Ivana; Zillich, Robert E. | 10.1103/PhysRevB.88.125416 | | 2013 | Physical Review B | 88 | 12 | 125416-1 - 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 Proton | Kögel J.F., Oelkers B., Kovačević B., Sundermeyer J. | | | 2013 | Journal of the American Chemical Society | 35 | 47 | 17768-17774 |
| Atropisomerism in 1-(2-Adamantyl)naphthalene Derivatives | Veljković J., Antol I., Basarić N., Smrečki V., Molčanov K., Müller N., Mlinarić-Majerski K. | 10.1016/j.molstruc.2013.04.027 | | 2013 | Journal of molecular structure | 1046 | | 101-109 |
| Design of Superbasic Guanidines: The Role of Multiple Intramolecular Hydrogen Bonds | Barić D., Dragičević I., Kovačević B. | | | 2013 | Journal of organic chemistry | 78 | 8 | 4075-4082 |
| Dibenzotetraaza[14]annulene – adenine conjugate recognizes complementary poly dT among ss-DNA / ss-RNA sequences | M. Radić Stojković, M. Škugor, S. Tomić, M. Grabar, V. Smrečki, L. Dudek, J. Grolik, J. Eilmes, Julita, I. Piantanida | 10.1039/c3ob40519b | 1477-0520 | 2013 | Organic & biomolecular chemistry | 11 | 24 | 4077-4085 |
| Glycolaldehyde dimer in the stable crystal phase has axial OH groups:Raman, infrared and X-ray data analysis | V. Mohaček-Grošev , B. Prugovečki, S. Prugoveč, N. Strukan | 10.1016/j.molstruc.2013.05.006 | 0022-2860 | 2013 | Journal of Molecular Structure | 1047 | | 209-215 |
| Mechanisms and reaction-path dynamics of hydroxyl radical reactions with aromatic hydrocarbons: The case of chlorobenzene | Kovacevic G., Sabljic A. | 10.1016/j.chemosphere.2013.04.041 | 0045-6535 | 2013 | Chemosphere | 92 | 7 | 851–856 |
| Neighboring Effect in Fragmentation Pathways of Cage 2 Guanylhydrazones in the Gas Phase | Šekutor M., Glasovac Z., Mlinarić-Majerski K. | 10.1021/jp311049f | 1089-5639 | 2013 | Journal of physical chemistry. A. | 117 | 10 | 2242-2252 |
| Non-heme iron dependent enzymes – understanding transport of iron cation in acetylacetone dioxygenase from Acinetobacter johnsoii | Tomić S., Brkić H., Straganz G., Buongiorno D. | | 0175-7571 | 2013 | European Biophys. J. | 42 | 1 | 814 |
| Observed bands in Raman and infrared spectra of 1,3-dioxolane and their assignments | V. Mohaček-Grošv, K. Furić, H. Ivanković | 10.1016/j.vibspec.2012.11.007 | 0924-2031 | 2013 | Vibrational Spectroscopy | 64 | | 101-107 |
| Photodeactivation paths in norbornadiene | Antol I. | 10.1002/jcc.23270 | | 2013 | Journal of computational chemistry | 34 | 17 | 1439-1445 |
| Proteini i nukleinske kiseline u vremenu i prostoru | S. Tomić, H. Brkić, M. Grabar Branilović, A. Tomić, B. Bertoša, M. Šikić | | | 2013 | Bioinformatics 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 inhibitor | M. Pavlin, J. Mavri, M. Repič, R. Vianello | | | 2013 | Journal of Neural Transmission | 120 | | 875–882 |
| Study of lipophilicity and membrane partition of 4-hydroxycoumarins by HPLC and PCA | Ilijaš M., Malnar I., Gabelica Marković V., Stepanić V. | | | 2013 | J. Pharm. Biomed. Anal. | 76 | | 104-111 |
| The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides | M. Grabar Branilović, S. Tomić, L.-M. Tumir, I. Piantanida | 10.1039/C3MB25578F | 1742-206X | 2013 | Molecular biosystems | 9 | 8 | 2051-2062 |
| The chemical fate of paroxetine metabolites. Dehydration of radicals derived from 4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine | Achrainer F., Šakić D., Vrček V., Zipse H. | | | 2013 | Organic & biomolecular chemistry | 11 | 25 | 4232-4239 |
| Theoretical study on the mechanism and kinetics of addition of hydroxyl radicals to fluorobenzene | Kovacevic G., Sabljic A. | 10.1002/jcc.23175 | 1096-987X | 2013 | Journal of Computational Chemistry | 34 | 8 | 646–655 |
| Toward Extension of the Gas-Phase Basicity Scale by Novel Pyridine Containing Guanidines | Glasovac Z., Pavošević F., Štrukil V., Eckert-Maksić M., Schlangen M., Kretschmer R. | 10.1016/j.ijms.2013.06.012 | 1387-3806 | 2013 | International journal of mass spectrometry | 354/355 | | 113-122 |
| Universality of atomic quantum halo clusters | Stipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Boronat, Jordi | | | 2013 | MBT17 XVII. International conference on recent progress in many-body theories | | | 56 |
| Univerzalnost atomskih kvantnih halo klastera | Stipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Boronat, Jordi | | 978-953-7178-15-4 | 2013 | 8. znanstveni sastanak HFD-a | | | 121 |
| Dicyclopalladated Complexes of Asymmetrically Substituted Azobenzenes: Synthesis, Kinetics and Mechanisms | Juribašić Marina, Budimir Ana, Kazazić Snježana, Ćurić Manda | 10.1021/ic402017v | 0020-1669 | 2013 | Inorganic chemistry | 52 | 21 | 12749-12757 |
| Adsorption of 4HeN and 4HeN3He Clusters on Cesium | Stipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Martinić, Tea | 10.1007/s10909-011-0406-5 | 0022-2291 (print) / 1573-7357 (online) | 2012 | Journal of low temperature physics | 166 | 01.vlj | 68-79 |
| Computational Study of Radical Derived from Hydroxyurea and Its Methylated Analogues | Vinković Vrček I., Šakić D., Vrček V., Zipse H., Biruš M. | | | 2012 | Organic & biomolecular chemistry | 10 | 6 | 1196-1206 |
| Dke1 – Structure, Dynamics and Function, A Theoretical and Experimental Study Elucidated the Role of the Binding Site Shape and the H-Bonding Network in Catalysis | H. Brkić, D. Buongiorno, M. Ramek, G. Straganz, S. Tomić | 10.1007/s00775-012-0898-8 | 0949-8257 | 2012 | Journal of biological inorganic chemistry | 17 | 5 | 801-815 |
| Interplay of crystallography and modelling in studying biological macromolecules | Tomić S., Abramić M., Brkić H., Tomić A. | | 978-953-154-157-2 | 2012 | Conference: Kristalografija u Hrvatskoj | | | 129 - 137 |
| Kinetic differentiation between homo- and alternating AT-DNA by sterically restricted phosphonium dyes | L.-M. Tumir, I. Crnolatac, T. Deligeorgiev, A. Vasilev, S. Kaloyanova, M. Grabar Branilović, S. Tomić, I. Piantanida | 10.1002/chem.201102968 | 0947-6539 | 2012 | Chemistry : a European journal | 18 | 13 | 3859-3864 |
| Liquid and solid 4He clusters adsorbed on graphene | Vranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, Robert E. | | | 2012 | International Conference on Quantum Fluids and Solids 2012 | | | P4.33 |
| Method for Estimating SN1 Rate Constants: Solvolytic Reactivity of Benzoates | Matić M., Denegri B., Kronja O. | | | 2012 | J. Org. Chem. | 77 | | 8986−8998 |
| Molecular modeling of nucleic acid - small molecule interactions | S. Tomić, M. Grabar Branilović, I. Piantanida | | | 2012 | Book 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 Solution | Marković M. | | | 2012 | PhD Thesis | | | |
| Prereactive complexes in chlorination of benzene, triazine, and tetrazine. A quantum chemical study | Šakić D., Vrček V. | | | 2012 | Journal of physical chemistry A. | 116 | 4 | 1298-1306 |
| QM/MM nonadiabatic decay dynamics of formamide in polar and nonpolar solvents | Antol I., Eckert-Maksić M., Vazdar M., Ruckenbauer M., Lischka H. | 10.1039/C2CP41830D | | 2012 | Physical Chemistry Chemical Physics | 14 | 38 | 13262-13272 |
| Ring strain and other factors governing the basicity of nitrogen heterocycles – an interpretation by triadic analysis | N. Radić, I. Despotović, R. Vianello | | | 2012 | Croatica Chemica Acta | 85 | | 495–504 |
| Structural effects responsible for stability and solvolytic reactivity of sulfonium ions | Jurić S., Denegri B., Kronja O. | | | 2012 | J. Phys. Org. Chem. | 25 | | 147−152 |
| Tebrophen - an old polyphenol drug with anticancer potential | Rubelj, I., Stepanić, V., Jelić, D., Vidaček, N.Š., Kalajžić, A.Ć., Ivanković, M., Nujić, K., Matijašić, M., Verbanac, D. | | | 2012 | Molecules | 17 | | 7864-7886 |
| New Algorithms for Generating Arbitrary Kochen-Specker Sets | Megill Norman D., Pavičić Mladen | | | 2012 | Bulletin of the American Physical Society, APS March Meeting 2012, Volume 57, Number 1 | | | Z30.00011-Z30.00011 |
| 4He clusters adsorbed on graphene | Vranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, Robert | | | 2011 | The 26th International Conference on Low Temperature Physics (LT26) | | | 349 |
| A Pheromone Trails Model for MAX-MIN Ant System | Ivković N., Golub M., Maleković M. | | 978-2-9539267-1-2 | 2011 | 10th Biennal International Conference on Artificial Evolution, Angers, Francuska, October 24-26, 2011 | | | 35-46 |
| Adsorpcija klastera 4HeN i 4HeN3He na površini cezija | Stipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Martinić, Tea | | 978-953-7178-20-8 | 2011 | 7. znanstveni sastanak HFD-a | | | 109 |
| Adsorption of 4HeN and 4HeN3He clusters on cesium | Stipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Martinic, Tea | | | 2011 | The 26th International Conference on Low Temperature Physics (LT26) | | | 346 |
| Adsorption of helium clusters on graphene | Vranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, Robert E | | | 2011 | Adsorption at the Nanoscale: A New Frontier in Fundamental Science and Applications | | | 12 |
| Base-catalyzed reactions of environmentally relevant N-chloro-piperidines. A quantum-chemical study | Šakić D., Zipse H., Vrček V. | | | 2011 | Organic & biomolecular chemistry. | 9 | 11 | 4336-4346 |
| Extended Trail Reinforcement Strategies for Ant Colony Optimization | Ivković N., Maleković M., Golub M. | 10.1007/978-3-642-27172-4_78 | 0302-9743 | 2011 | Second International Conference, SEMCCO 2011, Visakhapatnam, Andhra Pradesh, India, December 19-21, 2011, Proceedings, Part I, Lecture Notes in Computer Science | 7076 | 1 | 662-669 |
| Ground state of small mixed helium and spin-polarized tritium clusters : A quantum Monte Carlo study | Stipanović, Petar; Vranješ Markić, Leandra; Boronat, Jordi; Kezić, Bernarda | 10.1063/1.3530837 | | 2011 | The Journal of chemical physics | 134 | 5 | 054509-1 - 054509-8 |
| Guanidiniocarbonyl-pyrrole-aryl conjugates as nucleic acid sensors: switch of binding mode and spectroscopic responses by introducing additional binding sites into the linker | K. Groger, D. Baretić, I. Piantanida, M. Marjanović, M. Kralj, M. Grabar, S. Tomić, C. Schmuck | 10.1039/C0OB00103A | 1477-0520 | 2011 | Organic & biomolecular chemistry | 9 | 1 | 198-209 |
| Intriguing Differences in the Gas-Phase Dissociation Behavior of Protonated and Deprotonated Gonyautoxin Epimers | Dörr F.A., Kovačević B., Maksić Z.B., Pinto E., Volmer D.A. | | | 2011 | Journal of the American Society for Mass Spectrometry | 22 | 11 | 2011-2020 |
| Kinetics and Mechanism of Oxidation of Hydroxyurea Derivatives with Hexacyanoferrate(III) in Aqueous Solution | Budimir A., Weitner T., Kos I., Šakić D., Gabričević M., Bešić E., Biruš M. | | | 2011 | Croatica chemica acta. | 84 | 2 | 133-147 |
| Molecular modeling of new permanently charged phenanthridinium-nucleobase conjugates in complexes with double stranded polynucleotides | M. Grabar, S. Tomić, L.-M. Tumir, I. Piantanida | | | 2011 | Ninth 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 grafenu | Vranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, E. Robert | | 978-953-7178-20-8 | 2011 | 7. 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 radicals | Naumov P., Topcu Y., Eckert-Maksić M., Glasovac Z., Pavošević F., Manoj K., Hara H. | 10.1021/jp203771c | 1089-5639 | 2011 | Journal of Physical Chemistry | 115 | 26 | 7834-7848 |
| Vibrational analysis of 1-methyl-pyridinium-2-aldoxime and 1-methyl-pyridinium-4-aldoxime cations | V. Mohaček Grošev, B. Foretić, O. Gamulin | 10.1016/j.saa.2011.01.012 | 1386-1425 | 2011 | Spectrochimica Acta A Molecular and Biomolecular Spectroscopy | 78 | | 1376-1379 |
| New Insight into Solid-State Molecular Dynamics: Mechanochemical Synthesis of Azobenzene/Triphenylphosphine Palladacycles | Cinčić Dominik, Juribašić Marina, Babić Darko, Molčanov Krešimir, Šket Primož, Plavec Janez, Ćurić Manda | 10.1039/c1cc15377c | 1359-7345 | 2011 | Chemical communications | 47 | 41 | 11543-11545 |
| Probabilistic Generation of Quantum Contextual Sets | Megill Norman D., Fresl Krešimir, Waegell Mordecai, Aravind P.K., Pavičić Mladen | 10.1016/j.physleta.2011.07.050 | 0375-9601 | 2011 | Physics letters. A | 375 | 39 | 3419-3424 |
| Kochen-Specker Sets and Generalized Orthoarguesian Equations | Megill Norman D., Pavičić Mladen | 10.1007/s00023-011-0109-0 | 1424-0637 | 2011 | Annales henri poincare | 12 | 7 | 1417-1429 |
| New Class of 4-Dim Kochen-Specker Sets | Pavičić Mladen, Megill Norman. D., Aravind Padmanabhan K., Waegell Mordecai | 10.1063/1.3549586 | 0022-2488 | 2011 | Journal of mathematical physics | 52 | 2 | 022104-1 |
| Parity proofs of the Bell-Kochen-Specker theorem based on the 600-cell | Waegell Mordecai, Aravind P.K., Megill Norman D., Pavičić Mladen | 10.1007/s10701-011-9534-7 | 0015-9018 | 2011 | Foundations of physics | 41 | 5 | 883-904 |
| Proofs of the Kochen-Specker theorem based on the 600-cell | Aravind P.K., Waegell Mordecai, Megill Norman, Pavičić Mladen | | | 2011 | Bulletin 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 |
| Experimental and DFT study of 2-ferrocenylpropan-2-ol cyclodimerization products | Lapić J., Cetina M., Šakić D., Djaković S., Vrček V., Rapić V. | | | 2010 | Arkivoc. | 11 | 9 | 257-268 |
| Formamide as the Model Compound for Photodissociation Studies of the Peptide Bond, Kinetics and Dynamics | Eckert-Maksić M., Antol I., Vazdar M., Barbatti M., Lischka H. | | 978-90-481-3033-7 | 2010 | Kinetics 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 clusters | Stipanović, Petar; Vranješ Markić, Leandra; Boronat, Jordi | | | 2010 | QFS2010 : International Symposium on Quantum Fluids and Solids | | | 112 |
| Interaction of phosphonium cyanine dyes with DNA | M. Grabar, S. Tomić, L.-M. Tumir, I. Piantanida, I. Crnolatac, T. Deligeorgiev, A. Vasilev, S. Kaloyanova | | | 2010 | Abstracts 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 DNA | M. Grabar, S. Tomić, L.-M. Tumir, I. Piantanida, I. Crnolatac | | | 2010 | Book 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 Hexamers | Bilalbegović G. | | | 2010 | J. Phys. Chem. A | 114 | 2 | 715-720 |
| Optical spectrum of proflavine and its ions | Bonaca A., Bilalbegović G. | | | 2010 | Chemical 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 approach | R. Vianello, Z. B. Maksić | | | 2010 | Journal of Organic Chemistry | 22 | | 7670–7681 |
| Unusual azobenzene/bipyridine palladacycles: structural, dynamical, photophysical and theoretical studies | Juribašić Marina, Ćurić Manda, Molčanov Krešimir, Matković-Čalogović Dubravka, Babić Darko | 10.1039/C0DT00018C | 1477-9226 | 2010 | Dalton transactions | 39 | 37 | 8769-8778 |
| Hilbert Lattice Equations | Megill Norman D., Pavičić Mladen | 10.1007/s00023-009-0019-6 | 1424-0637 | 2010 | Annales Henri Poincaré | 10 | 7 | 1335-1358 |
| Graph Approach to Quantum Systems | Pavičić Mladen, McKay Brendan D., Megill Norman D., Fresl Krešimir | 10.1063/1.3491766 | 0022-2488 | 2010 | Journal of mathematical physics | 51 | 10 | 102103-1 |
| New Kochen-Specker Sets in Four Dimensions | Pavičić Mladen, Megill Norman D., Merlet Jean-Pierre | 10.1016/j.physleta.2010.03.019 | 0375-9601 | 2010 | Physics letters. A | 374 | 21 | 2122-2128 |
| Acidifying Effect of an N–Oxide group – A Useful Motif in Enhancing Acidity towards Superacidic Values | R. Vianello | | | 2009 | Croat. Chem. Acta | 82 | | 27–39 |
| Basicity of organic bases and superbases in acetonitrile by the polarized continuum model and DFT calculations | Glasovac Z., Eckert-Maksić M. , Maksić Z.B. | | | 2009 | New J. Chem. | 33 | | 588–597 |
| Chlorination of ammonia and aliphatic amines by Cl2: DFT study of medium and substituent effects | Vrček V., Meštrić H. | | | 2009 | J. Phys. Org. Chem. | 22 | | 59–68 |
| Coordination chemistry of nickel(II) nitrate with superbasic guanidines as studied by electrospray mass spectrometry | Glasovac Z., Štrukil V., Eckert-Maksić M., Schroeder D., Schlangen M., Schwarz H. | | | 2009 | International Journal of Mass Spectrometry | | | |
| Difuzne spektralne vrpce međuzvjezdane tvari: optički spektar proflavina | Bonaca A. | | | 2009 | Link | | | |
| Klasteri helija adsorbirani na površini cezija | Stipanović, Petar; Martinić, Tea; Vranješ Markić, Leandra | | 978-953-7178-12-3 | 2009 | 6. znanstveni sastanak HFD-a | | | 169 |
| Mali miješani klasteri helija i spin-polariziranog tricija | Stipanović, Petar; Kežić, Bernarda; Vranješ Markić, Leandra | | 978-953-7178-12-3 | 2009 | 6. znanstveni sastanak HFD-a | | | 77 |
| Proton Affinities of Didehydroporphyrin and Subporphyrin in Ground and Excited States Obtained by Quantum Chemical Calculations | Glasovac Z., Vazdar M., Margetic D. | | | 2009 | Croat. Chem. Acta | 82 | 1 | 63-70 |
| Rearrangemements in Piperidine-Derived Nitrogen-Centered Radicals. A Quantum-Chemical Study | Vrček V., Zipse H. | | | 2009 | J. Org. Chem. | 74 | | 2947–2957 |
| Structure Prediction of Bis(amino acidato)copper(II) Complexes with a New Force Field for Molecular Modeling | Sabolović J., Gomzi V. | | | 2009 | Journal of Chemical Theory and Computation | 5 | 7 | 1940-1954 |
| Superbasicity of a Bis–guanidino Compound with a Flexible Linker: A Theoretical and Experimental Study | M. 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 | | | 2009 | J. Am. Chem. Soc. | 131 | | 16858–16868 |
| TDDFT study of nucleobase thioanalogues and oxo-derivatives excited states | Gomzi V. | | | 2009 | Journal of Theoretical and Computational Chemistry | 8 | 1 | 71-83 |
| The engineering of powerful non–ionic superacids in silico – a DFT–B3LYP study of open chain polycyanopolyenes | R. Vianello, Z. B. Maksić | | | 2009 | New J. Chem. | 33 | | 739–748 |
| Zwitterionic structures of strained cis-pyramidalized disilenes: fact or artifact | Glasovac Z., Antol I., Vazdar M., Margetic D. | 10.1007/s00214-009-0633-x | | 2009 | Theor Chem Acc | 124 | 05.lip | 421-430 |
| Spectroscopic and DFT study of 3-quinolyl-alpha-aminophosphonates | Juribašić Marina, Tušek-Božić Ljerka | 10.1016/j.molstruc.2008.11.007 | 0022-2860 | 2009 | Journal of molecular structure | 924-926 | | 66-72 |
| Exhaustive Generation of Orthomodular Lattices with Exactly One Non-Quantum State | Pavičić Mladen | 10.1016/S0034-4877(10)00005-4 | 0034-4877 | 2009 | Reports on mathematical physics | 64 | 3 | 417-428 |
| A new cytosine-copper paramagnetic complex Spectroscopic study | Krilov D., Gomzi V., Herak J.N. | | | 2008 | Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy | 70 | 5 | 1238-1242 |
| DFT study of sulfur centred radicals formed in 5-methylcytosine hemihydrate crystal doped with 5-methyl-2-thiocytosine | Gomzi V. | | | 2008 | Molecular Physics | 106 | 11 | 1419-1425 |
| EPR study of a sulfur-centered π radical in γ -irradiated single crystal of 2-thiothymine | Bešić E., Gomzi V. | | | 2008 | Journal of Molecular Structure | 876 | 01.ožu | 234-239 |
| Radicals formed in cytosine– hydrochloridethiocytosine) single crystals: Insights from a DFT study | Gomzi V. | | | 2008 | Journal of Molecular Structure - Theochem | 860 | 01.ožu | 137-140 |
| Rees polycyanated hydrocarbons and related compounds are extremely powerful Broensted superacids in the gas-phase and DMSO – a density functional B3LYP study | R. Vianello, Z. B. Maksić | | | 2008 | New J. Chem. | 32 | | 413–427 |
| Computational design of Brønsted neutral organic superbases – [3]iminoradialenes and quinonimines are important synthetic targets | I. Despotović, Z. B. Maksić, R. Vianello | | | 2007 | New J. Chem. | 31 | | 52–62 |
| Design of Brønsted Neutral Organic Bases and Superbases by Computational DFT Methods: Cyclic and Polycyclic Quinones and [3]Carbonylradialenes | I. Despotović, Z. B. Maksić, R. Vianello | | | 2007 | Eur. J. Org. Chem. | | | 3402–3413 |
| DFT Study of Rearrangements in Cyclopentylheptenyl Carbocations | Vrček V. | | | 2007 | International Journal of Quantum Chemistry | 107 | | 1772–1781 |
| Hydride Affinities of Substituted Alkenes: Their Prediction by Density Functional Calculations and Rationalization by Triadic Formula | R. Vianello, N. Peran, Z. B. Maksić | | | 2007 | Eur. J. Org. Chem. | | | 526–539 |
| Hyperstrong Neutral Organic Bases: Phosphazeno azacalix[3](2, 6)pyridines | I. Despotović, B. Kovačević, Z. B. Maksić | | | 2007 | Org. Lett. | 9 | | 4709 |
| Interpretation of Brønsted Acidity by Triadic Paradigm: A G3 Study of Mineral Acids | R. Vianello, Z. B. Maksić | | | 2007 | J. Phys. Chem. A | 111 | | 11718–11724 |
| Pyridine and s–triazine as building blocks of nonionic organic superbases – a density functional theory B3LYP study | I. Despotović, B. Kovačević, Z. B. Maksić | | | 2007 | New J. Chem. | 31 | | 447 |
| The Journal of Physical Chemistry A | Doslic N., Kovacevic G., Ljubic I. | 10.1021/jp072565o | 8650–8658 | 2007 | The Journal of Physical Chemistry A | 111 | 35 | 8650–8658 |
| Engineering Neutral Organic Bases and Superbases by Computational DFT Methods – Carbonyl Polyenes | I. Despotović, Z. B. Maksić, R. Vianello | | | 2006 | Eur. J. Org. Chem. | | | 5505–5514 |
| Hydride Affinities of Some Substituted Alkynes: Prediction by DFT Calculations and Rationalization by Triadic Formula | R. Vianello, N. Peran, Z. B. Maksić | | | 2006 | J. Phys. Chem. A | 110 | | 12870–12881 |
| Triadic analysis of substituent effects – gas–phase acidity of para–substituted phenols | R. Vianello, Z. B. Maksić | | | 2006 | Tetrahedron | 62 | | 3402–3411 |
| A Novel Approach in Analyzing Aromaticity by Homo– and Isostructural Reactions: An Ab Initio Study of Fluorobenzenes | D. Barić, B. Kovačević, Z. Maksić, T. Mueller | | | 2005 | J. Phys. Chem. A | 109 | | 10594–10606 |
| Kochen-Specker Vectors | Pavičić M., Merlet J.P., McKay B.D., Megill N.D. | | | 2005 | Journal of Physics A: Mathematical and General | 38 | 7 | 1577-1592 |
| Dominant Role of the PI Framework in Cyclobutadiene | Kovačević B., Barić D., Maksić Z.B. i Mueller T. | | | 2004 | J. Phys. Chem. A | 108 | | 9126-9133 |
| Extending the acidity ladder of neutral organic superacids — a DFT-B3LYP study of deprotonation of nonacyanofluorene | Maksić Z.B. i Vianello R. | | | 2004 | Tetrahedron Letters | 45 | | 8663–8666 |
| Kekulenoid Addition Patterns for Fullerenes and Some Lower Homologs | Babić D., Došlić T., Klein D.J., Misra A. | | | 2004 | Bull. Chem. Soc. Jpn. | 77 | | 2003–2010 |
| Kochen-Specker Algorithms for Qubits in Quantum Communication, Measurement and Computing | Pavičić M., Barnett S.M., Andersson E., Jeffers J., Oehberg P., Hirota O. Melville | | | 2004 | American Institute of Physics | | | 195-198 |
| Structural and electronic properties of MgO nanotube clusters | Bilalbegovic G. | | | 2004 | Physical Review B | 70 | | 45407 |
| The Origin of Antiaromaticity – A Dominant Role of π–Framework in Cyclobutadiene | B. Kovačević, D. Barić, Z. Maksić, T. Mueller | | | 2004 | J. Phy. Chem. A | 108 | | 9126–9133 |
| The Origin of Aromaticity: Important Role of the Sigma Framework in Benzene | Kovačević B., Barić D., Maksić Z.B. i Mueller T. | | | 2004 | ChemPhysChem | 5 | | 1352-1364 |
| Acidity of Substituted Benzenes - An Ab Initio Study of the Influence of Methoxy | Kovačević B., Maksić Z.B., Primorac M. | | | 2003 | Eur. J. Org. Chem. | | | 3777-3783 |
