Pregled po projektu: 0098058
Pronađeno 85 radova
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1.Peran, Nena; Vianello, Robert; Maksić, ZvonimirHydride Affinities of Unsaturated Alkynes, Alkenes and Carbonyles - a Rationalization Using Triadic Formula // 3rd Meeting of the COST working group D26/0014/03 "Intrinsic reactivity of new molecular materials" : abstracts / Eckert-Maksić, Mirjana (ur.).
Zagreb: Institut Ruđer Bošković, 2006. (poster, sažetak, znanstveni) -
2.Vianello, Robert; Maksić, ZvonimirNeutral Superacids in the Gas-phase and in DMSO Solution // 1st Eropean Chemistry Congress Abstract Book / Naray-Szabo, Gabor ; Lehn, Jean-Marie (ur.).
Budimpešta: EuCheMS, 2006. (poster, međunarodna recenzija, sažetak, znanstveni) -
3.Vianello, RobertPrediction of New Organic Superacids by Computational Chemistry // Marie Curie Workshop 2006 in Croatia and Serbia: Celebrating 150th Anniversary of the birth on Nikola Tesla / Videnović, Ivan (ur.).
Beograd: Academic mind, 2006. (predavanje, domaća recenzija, sažetak, znanstveni) -
4.Vianello, RobertZašto kemija treba superkiseline i kako ih dobiti? // VI. susret mladih kemijskih inženjera / Kosar V, Zelić B (ur.).
Zagreb: Fakultet kemijskog inženjerstva i tehnologije Sveučilišta u Zagrebu, 2006. (predavanje, domaća recenzija, sažetak, znanstveni) -
5.Despotović, Ines; Maksić, Zvonimir; Vianello, RobertEngineering Neutral Organic Bases and Superbases by Computational DFT Methods - Carbonyl Polyenes // European Journal of Organic Chemistry, 24 (2006), 5505-5514 (međunarodna recenzija, članak, znanstveni)
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6.Vianello, Robert; Peran, Nena; Maksić, ZvonimirHydride Affinities of some Substituted Alkynes - Prediction by DFT Calculations and Rationalization by Triadic Formula // The Journal of Physical Chemistry A, 110 (2006), 47; 12870-12881 (međunarodna recenzija, članak, znanstveni)
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7.Eckert-Maksić, Mirjana; Vazdar, Mario; Lischka, Hans; Maksić, ZvonimirThe barrier height for automerization reaction of cyclobutadiene - The ab initio benchmark study // Abstracts of the XVIII International Conference on Physical Organic Chemistry / Cyranski, M.K. ; Wozniak, K. ; Krygowski, T.M. (ur.).
Varšava: Conference Engine, 2006. str. 44-44 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
8.Maksić, ZvonimirDesign of Neutral Organic Superacids and Superbases Ex Machina // XVIII International Conference on Physical Organic Chemistry
Varšava, Poljska, 2006. (pozvano predavanje, sažetak, znanstveni) -
9.Kovačević, Borislav; Maksić, ZvonimirHigh basicity of tris-(tetramethylguanidinyl)phosphine imide in the gas phase and acetonitrile - a DFT study // Tetrahedron Letters, 47 (2006), 2553-2555 (međunarodna recenzija, članak, znanstveni)
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10.Maksić, Zvonimir; Vianello, RobertComment on the paper "On the Limits of Highest-Occupied Molecular Orbital Driven Reactions: The Frontier Effective-for-Reaction Molecular Orbital Concept" // The Journal of Physical Chemistry A, 110 (2006), 10651-10652 (podatak o recenziji nije dostupan, komentar, znanstveni)
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11.Maksić, Zvonimir; Barić, Danijela; Muller, ThomasClar's Sextet Rule Is a Consequence of the Sigma-Electron Framework // The Journal of Physical Chemistry A, 110 (2006), 33; 10135-10147 (međunarodna recenzija, članak, znanstveni)
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12.Eckert-Maksić, Mirjana; Vazdar, Mario; Barbatti, Mario; Lischka, Hans; Maksić, Zvonimir B.Automerization reaction of cyclobutadiene and its barrier height: an ab initio benchmark multireference average-quadratic coupled cluster study // The Journal of chemical physics, 125 (2006), 6; 064310, 9 doi:10.1063/1.2222366 (međunarodna recenzija, članak, znanstveni)
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13.Vianello, Robert; Maskill, Howard; Maksić, ZvonimirBasicity of amines in the gas phase - Analysis of the base-strengthening effect of an N-trityl group by use of a triadic formula // European Journal of Organic Chemistry, 11 (2006), 2581-2589 (međunarodna recenzija, članak, znanstveni)
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14.Kovačević, Borislav; Maksić, ZvonimirHigh Basicity of Phosphorus Proton Affinity of Tris-(tetramethylguanidinyl)phosphine and Tris-(hexamethyltriaminophosphazenyl)phosphine by the DFT Calculations // Chemical Communications, 14 (2006), 1524-1526 (međunarodna recenzija, članak, znanstveni)
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15.Knežević, Andrea; Maksić, ZvonimirThe absolute proton affinity and the second order hyperpolarizability of some condensed linear aromatics and zetrenes // New Journal of Chemistry, 30 (2006), 2; 215-222 (međunarodna recenzija, članak, znanstveni)
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16.Vianello, Robert; Maksić, ZvonimirTriadic analysis of substituent effects - gas-phase acidity of para-substituted phenols // Tetrahedron, 62 (2006), 3402-3411 (međunarodna recenzija, članak, znanstveni)
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17.Peran, NenaHidridni afiniteti nezasićenih organskih molekula - racionalizacija primjenom trihotomne formule, 2005., diplomski rad, Prirodoslovno-matematički fakultet, Zagreb
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18.Maksić, ZvonimirAcidity and Basicity of 20 alpha - amino acids - A Rationalization by the the Triadic Analysis // First SE European Workshop on Practical Approaches to Computational Biology
Opatija, Hrvatska, 2005. (pozvano predavanje, sažetak, znanstveni) -
19.Vianello, Robert; Maksić, ZvonimirThe structure and acidity of 20 alpha-amino acids in the gas-phas // XIX. hrvatski skup kemičara i kemijskih inženjera - sažeci
Opatija, Hrvatska, 2005. (poster, sažetak, znanstveni) -
20.Glasovac, Zoran; Kovačević, Borislav; Meštrović, Ernest; Eckert-Maksić, MirjanaSynthesis and Properties of Novel Guanidine Bases. N, N', N'' tris(3 dimethylaminopropyl)-guanidine // Tetrahedron letters, 46 (2005), 50; 8733-8736 (međunarodna recenzija, članak, znanstveni)
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21.Barić, Danijela; Kovačević, Borislav; Maksić, Zvonimir; Mueller, ThomasA Novel Approach in Analyzing Aromaticity by Homo- and Isostructural Reactions: An Ab Initio Study of Fluorobenzenes // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 109 (2005), 46; 10594-10606 (međunarodna recenzija, članak, znanstveni)
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22.Raab, Volker; Gauchenova, Ekaterina; Merkoulov, Alexei; Harms, Klaus; Sundermeyer, Jorg; Kovačević, Borislav; Maksić, Zvonimir1, 8-Bis(hexamethyl-triamino-phosphazenyl)naphthalene, HMPN: A Superbasic Bisphosphazene "Proton Sponge" // Journal of the American Chemical Society, 127 (2005), 45; 15738-15743 (međunarodna recenzija, članak, znanstveni)
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23.Kovačević, Borislav; Rožman, Marko; Klasinc, Leo; Srzić, Dunja; Maksić, Zvonimir; Yánez, ManuelGas phase structure of protonated histidine and histidine methyl ester - a combined experimental mass spectrometry and theoretical ab initio study // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 109 (2005), 37; 8329-8335 doi:10.1021/jp053288t (međunarodna recenzija, članak, znanstveni)
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24.Vianello, Robert; Maksić, ZvonimirTowards highly powerful neutral organic superacids - a DFT study of some polycyano derivatives of planar hydrocarbons // Tetrahedron, 61 (2005), 39; 9381-9390 (međunarodna recenzija, članak, znanstveni)
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25.Vianello, Robert; Maksić, ZvonimirExtremal Acidity of Rees Polycyanated Hydrocarbons in the Gas Phase and DMSO - a Density Functional Study // Chemical communications, 27 (2005), 3412-3414 (međunarodna recenzija, članak, znanstveni)
