Pregled po projektu: 0098058
Pronađeno 85 radova
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1.Barić, DanijelaKorelacijska energija pi elektrona planarnih molekula, 2002., magistarski rad, Prirodoslovno-matematički fakultet, Zagreb
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2.Maksić, Zvonimir; Vianello, RobertHow Good is Koopmans' Approximation? - G2(MP2) Study of the Vertical and Adiabatic Ionization Potentials of Some Small Molecules // 6th World Congress of Theoretically Oriented Chemists WATOC 2002
Lugano, 2002. (poster, sažetak, znanstveni) -
3.Despotović, InesStruktura i svojstva nekih polibenzenoidnih sustava, 2002., doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb
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4.Kovačević, Borislav; Liebman, Joel F.; Maksić, Zvonimir B.Nibbering's C7H7N: an ab initio study of the structure and electronic properties of benzaldimine and its protonated ion // Journal of Chemical Society Perkin Trans 2, 9 (2002), -; 1544-1548 (međunarodna recenzija, članak, znanstveni)
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5.Kovačević, Borislav; Maksić, Zvonimir B.; Vianello, Robert; Primorac, MiljenkoComputer Aided Design of Organic Superbases - The Role of Intramolecular Hydrogen Bonding // New Journal of Chemistry, 26 (2002), 1329-1334 (međunarodna recenzija, članak, znanstveni)
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6.Maksić, Zvonimir B.; Vianello, RobertHow Good is Koopmans' Approximation? - G2(MP2) Study of the Vertical and Adiabatic Ionization Potentials of Some Small Molecules // Journal of Physical Chemistry A, 106 (2002), 6515-6520 (međunarodna recenzija, članak, znanstveni)
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7.Vianello, Robert; Kovačević, Borislav; Maksić, Zvonimir B.In Search for Neutral Organic Superbases - Iminopolyenes and Their Amino Derivatives // New Journal of Chemistry, 26 (2002), 1324-1328 (međunarodna recenzija, članak, znanstveni)
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8.Maksić, Zvonimir B.; Vianello, RobertAnionic vs. Neutral Protonation - An Ab Initio Analysis with a Triadic Formula // ChemPhysChem, 3 (2002), 8; 696-700 (međunarodna recenzija, članak, znanstveni)
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9.Smith, David M.; Maksić, Zvonimir B.; Maskill, HowardDesigning Aryl Cations for Direct Observation in Solution : Ab Initio MO Calculations of UV Spectra // Journal of the Chemical Society-Perkin Tansactions 2, 5 (2002), 906-913 (međunarodna recenzija, članak, znanstveni)
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10.Kovačević, Borislav; Maksić, Zvonimir B.The Proton Affinity of the Superbase 1, 8-Bis(tetramethylguanidino)naphthalene and Some Related Compounds - A Theoretical Study // Chemistry - A European Journal, 8 (2002), 7; 1694-1702 (međunarodna recenzija, članak, znanstveni)
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11.Maksić, Zvonimir B.; Vianello, RobertQuest for the Origin of Basicity: Initial vs. Final State Effect in Neutral Nitrogen Bases // Journal of Physical Chemistry A, 106 (2002), 419-430 (međunarodna recenzija, članak, znanstveni)
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12.Barić, Danijela; Maksić, Zvonimir B.The Additivity of the Correlation Energy in Organic 3D Molecules // Journal of Physical Chemistry A, 106 (2002), 8; 1612-1618 (međunarodna recenzija, članak, znanstveni)
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13.Kovačević, Borislav; Glasovac, Zoran; Maksić, Zvonimir B.The Intramolecular Hydrogen Bond and Intrinsic Proton Affinity of Neutral Organic Molecule: N, N', N''-tris(3-aminopropyl)guanidine and Some Related Systems // Journal of Physical Organic Chemistry, 15 (2002), 11; 765-774 (međunarodna recenzija, članak, znanstveni)
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14.Maksić, Zvonimir B.; Glasovac, Zoran; Despotović, InesPredicted high proton affinity of poly-2, 5-dihydropyrrolimines-the aromatic domino effect // Journal of Physical Organic Chemistry, 15 (2002), 8; 499-508 (međunarodna recenzija, članak, znanstveni)
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15.Gattin, ZrinkaUtjecaj intamolekulskih vodikovih veza na protonski afinitet supstituiranih ciklopropenimina, 2003., diplomski rad, Prirodoslovno-matematički fakultet, Zagreb
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16.Kovačević, Borislav; Maksić, Zvonimir B.Design of organic superbases - The influence of hydrogen bond // 2nd Central European Symposium on Theoretical Chemistry
Nove Hrady, Češka, 2003. (poster, međunarodna recenzija, sažetak, znanstveni) -
17.Barić, Danijela; Maksić, Zvonimir B.Nonadditivity of the Static Correlation Energy of pi-Electrons in Planar Molecules as a Manifestation of Anti/Aromaticity // 2nd Central European Symposium on Theoretical Chemistry
Nove Hrady, Češka, 2003. (poster, međunarodna recenzija, sažetak, znanstveni) -
18.Barić, Danijela; Maksić, Zvonimir B.; Yanez, ManuelAtomic Additivity of the Correlation Energy in Molecules - An ab initio MP(n) and G3 Study // XIth International Congress of Quantum Chemistry 2003, Program and Abstracts
Bonn, Njemačka, 2003. (poster, međunarodna recenzija, sažetak, znanstveni) -
19.Maksić, Zvonimir B.; Vianello, RobertDesign of Neutral Organic Superacids by Computational Quantum Chemistry // 12th Central European Symposium on Theoretical Chemistry
Nove Hrady, 2003. (poster, međunarodna recenzija, neobjavljeni rad, znanstveni) -
20.Vianello, RobertInterakcije Lewisovih kiselina i baza, 2003., doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb
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21.Kovačević, Borislav; Maksić, Zvonimir B.; Vianello, RobertDesign of Organic Superbases and Superacids in silico // XIth International Congress of Quantum Chemistry 2003, Program and Abstracts
Bonn, 2003. (poster, međunarodna recenzija, sažetak, znanstveni) -
22.Barić, Danijela; Maksić, Zvonimir B.Atomic Additivity of the Correlation Energy in Molecules by the DFT-B3LYP Scheme // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 107 (2003), 51; 11577-11586 (međunarodna recenzija, članak, znanstveni)
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23.Raab, Volker; Harms, Klaus; Sundermeyer, Jorg; Kovačević, Borislav; Maksić, Zvonimir B1, 8-Bis(dimethylethyleneguanidino)naphthalene, DMEGN: Tailoring the Basicity of Bisguanidine "Proton Sponges" by Experiment and Theory // Journal of organic chemistry, 68 (2003), 23; 8790-8797 (međunarodna recenzija, članak, znanstveni)
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24.Kovačević, Borislav; Maksić, Zvonimir B.; Primorac, MiljenkoAcidity of Substituted Benzenes - An Ab Initio Study of the Influence of Methoxy, Trifluoromethyl and Trifluoromethoxy Groups by Novel Trichotomy Formula // European journal of organic chemistry, 19 (2003), 18; 3777-3783 (međunarodna recenzija, članak, znanstveni)
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25.Vianello, Robert; Maksić, Zvonimir B.A Combined Ab Initio and Density Functional Study of the Electronic Structure of Thymine and 2-Thiothymine Radicals // Collection of Czechoslovak chemical communications, 68 (2003), 12; 2322-2334 (međunarodna recenzija, članak, znanstveni)
