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Popisi objavljenih radova u kojima su se koristili resursi klastera Isabella.

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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
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
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
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
4He clusters adsorbed on graphene Vranješ Markić, Leandra; Stipanović, Petar; Bešlić, Ivana; Zillich, Robert E. 10.1103/PhysRevB.88.125416   20f10.1002/jcc.2317513 Physical Review B 88 12 125416-1 - 125416-13
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 1-2 68-79
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
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
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
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
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
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
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
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
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
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
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

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

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
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

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

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
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
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
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
Eksperimentalno utemeljeno modeliranje interakcija nukleinskih kiselina i malih molekula M. Grabar Branilović     2014 PhD Thesis      
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
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
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
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.      
Structure, defects, and strain in silicon-silicon oxide interfaces Kovacevic G., Pivac B. 10.1063/1.4862809   2014 Journal of Applied Physics 115 4  
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
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
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
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   1-6
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
The Stability of Nitrogen-Centered Radicals, Organic & biomolecular chemistry Hioe J., Šakić D., Vrček V., Zipse H.     2014   1 1 1-1
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
Cyclopropenimine as a hydrogen bond acceptor—towards the strongest non-phosphorus superbases D. Barić, I. Dragičević, B. Kovačević     2014 Tetrahedron 70 25 8571-8576
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
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
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
A DFT-based model for calculating solvolytic reactivity. The nucleofugality of aliphatic carboxylates in terms of Nf parameters Denegri B., Matić M., Kronja O.     2014 Org. Biomol. Chem. 12   5698−5709
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
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
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

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

Photodeactivation paths in norbornadiene

Antol I. 10.1002/jcc.23270   2013 Journal of computational chemistry 34 17 1439-1445
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
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
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
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
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
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
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
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
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
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
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
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
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
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

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
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
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
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

Molecular Modelling Of Copper(II) Complexes With Amino Acids In Vacuum, Crystal, And In Aqueous Solution

Marković M.     2012 PhD Thesis      
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
Method for Estimating SN1 Rate Constants: Solvolytic Reactivity of Benzoates Matić M., Denegri B., Kronja O.     2012 J. Org. Chem. 77   8986−8998
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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      
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
Rearrangemements in Piperidine-Derived Nitrogen-Centered Radicals. A Quantum-Chemical Study Vrček V., Zipse H.     2009 J. Org. Chem. 74   2947–2957
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      
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 5-6 421-430
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
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
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
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
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
TDDFT study of nucleobase thioanalogues and oxo-derivatives excited states Gomzi V.     2009 Journal of Theoretical and Computational Chemistry 8 1 71-83
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
Difuzne spektralne vrpce međuzvjezdane tvari: optički spektar proflavina Bonaca A.     2009 Link      
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
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 1-3 234-239
Radicals formed in cytosine– hydrochloridethiocytosine) single crystals: Insights from a DFT study Gomzi V.     2008 Journal of Molecular Structure - Theochem 860 1-3 137-140
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
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 Rearrangements in Cyclopentylheptenyl Carbocations Vrček V.     2007 International Journal of Quantum Chemistry 107   1772–1781
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
Hyperstrong Neutral Organic Bases: Phosphazeno azacalix[3](2, 6)pyridines I. Despotović, B. Kovačević, Z. B. Maksić     2007 Org. Lett. 9   4709
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
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
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
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
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
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
Triadic analysis of substituent effects – gas–phase acidity of para–substituted phenols R. Vianello, Z. B. Maksić     2006 Tetrahedron 62   3402–3411
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
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
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
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
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
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
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
Structural and electronic properties of MgO nanotube clusters Bilalbegovic G.     2004 Physical Review B 70   045407
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
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

 

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