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)
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26.Vianello, Robert; Maksić, ZvonimirStrong acidity of some polycyclic aromatics annelated to the cyclopentadiene moiety and their cyano derivatives - A density functional B3LYP study // European journal of organic chemistry, 16 (2005), 3571-3580 (međunarodna recenzija, članak, znanstveni)
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27.Vianello, Robert; Maksić, Zvonimir B.High acidity of polycyano azatriquinanes - theoretical prediction by the DFT calculations // Tetrahedron letters, 46 (2005), 3711-3713 (međunarodna recenzija, članak, znanstveni)
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28.Gattin, Zrinka; Kovačević, Borislav; Maksić, Zvonimir B.Cooperative intramolecular hydrogen bonding effect and basicity - An ab initio and DFT study of the superbasic properties of N-dimethylaminoalkyl-2, 3-diamino-cyclopropeneimines // European journal of organic chemistry, - (2005), 3206-3213 (međunarodna recenzija, članak, znanstveni)
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29.Mo, Otilia; Yanez, Manuel; Eckert-Maksić, Mirjana; Maksić, Zvonimir; Alkorta, Ibon; Elguero, JosePeriodic trends in bond dissociation energies. A theoretical study // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 109 (2005), 4359-4365 (međunarodna recenzija, članak, znanstveni)
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30.Vianello, Robert; Maksić, ZvonimirHydride Affinities of Borane Derivatives: Novel Approach in Determining the Origin of Lewis Acidity Based on Triadic Formula // Inorganic Chemistry, 44 (2005), 1095-1102 (međunarodna recenzija, članak, znanstveni)
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31.Vianello, Robert; Maksić, ZvonimirGas-phase acidity of para-substituted benzoic acids - a triadic analysis of substituent effects // Journal of physical organic chemistry, 18 (2005), 699-705 (međunarodna recenzija, članak, znanstveni)
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32.Barić, Danijela; Maksić, ZvonimirOn the origin of Baeyer strain in molecules - an ab initio and DFT analysis // Theoretical chemistry accounts, 114 (2005), 1-3; 222-228 (međunarodna recenzija, članak, znanstveni)
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33.Vianello, Robert; Maksić, ZvonimirAcidities of Azoles in the Gas Phase and in DMSO - An Ab Initio and DFT Study // Molecular physics, 103 (2005), 209-219 (međunarodna recenzija, članak, znanstveni)
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34.Eckert-Maksić, Mirjana; Maksić, ZvonimirAntiaromaticity and Aromaticity in Carbocyclic Four-membered Rings // The Chemistry of Cyclobutanes / Rappoport, Zvi ; Liebman, Joel F. (ur.).
Chichester: John Wiley & Sons, 2005. str. 17-82 -
35.Vianello, Robert; Kovačević, Borislav; Ambrožić, Gabriela; Mavri, Janez; Maksić, ZvonimirHydrogen bonding in complex of serine with histidine : computational and spectroscopic study of model compounds // Chemical physics letters, 400 (2004), 1-3; 117-121 doi:10.1016/j.cplett.2004.10.089 (međunarodna recenzija, članak, znanstveni)
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36.Perić, LovorkaDizajn hidridnih spužvi primjenom računske kemije, 2004., diplomski rad, Prirodoslovno-matematički fakultet, Zagreb
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37.Kovačević, Borislav; Maksić, Zvonimir B.Computational Design of Highly Potent Organic Superbases // NIC Symposium 2004 / Wolf, Dietrich ; Muenster, Gernot ; Kremer, Manfred (ur.).
Jülich: NIC-Directors, Research Centre Juelich, 2004. str. 71-80 (pozvano predavanje, međunarodna recenzija, cjeloviti rad (in extenso), znanstveni) -
38.Vianello, RobertThe Structure and Acidity of 20 alpha-Amino Acids // 2nd Central European Conference - Chemistry Towards Biology
Seggau, 2004. (pozvano predavanje, međunarodna recenzija, sažetak, znanstveni) -
39.Maksić, Zvonimir; Vianello, RobertExtending Acidity Ladder of Neutral Organic Superacids - A DFT-B3LYP Study of Deprotonation of Nonacyanofluorene // Tetrahedron letters, 45 (2004), 8663-8666 (međunarodna recenzija, članak, znanstveni)
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40.Vianello, Robert; Maksić, ZvonimirAcidity of Bronsted CH Acids in DMSO - The Extreme Acidity of Nonacyanocyclononatetraene // European journal of organic chemistry, 24 (2004), 5003-5010 (međunarodna recenzija, članak, znanstveni)
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41.Kovačević, Borislav; Barić, Danijela; Maksić, Zvonimir; Mueller, ThomasDominant Role of the Pi Framework in Cyclobutadiene // Journal of Physical Chemistry A, 108 (2004), 9126-9133 (međunarodna recenzija, članak, znanstveni)
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42.Vianello, Robert; Liebman, Joel F.; Maksić, ZvonimirIn Search of Ultrastrong Bronsted Neutral Organic Superacids - A DFT Study of some Cyclopentadiene Derivatives // Chemistry-A European Journal, 10 (2004), 5751-5761 (međunarodna recenzija, članak, znanstveni)
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43.Kovačević, Borislav; Barić, Danijela; Maksić, Zvonimir; Müller, ThomasThe Origin of Aromaticity - The Important Role of the Sigma Electrons in Benzene // ChemPhysChem, 5 (2004), 1352-1364 (međunarodna recenzija, članak, znanstveni)
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44.Maksić, Zvonimir; Vianello, RobertDesign of Strong Neutral Organic Superacids: DFT-B3LYP Calculations on some Isobenzofulvene Derivatives // European Journal of Organic Chemistry, 9 (2004), 1940-1945 (međunarodna recenzija, članak, znanstveni)
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45.Alkorta, Ibon; Elguero, Jose; Eckert-Maksić, Mirjana; Maksić, Zvonimir B.Influence of the H/F Replacement on the Homoaromaticity of Homotropylium Ion: a GIAO/DFT Theoretical Study // Tetrahedron, 60 (2004), 2259-2265 (međunarodna recenzija, članak, znanstveni)
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46.Palacios, Alicia; Martin, Fernando; Mo, Otilia; Yanez, Manuel; Maksic, Zvonimir B.Stable Dications Formed by Direct Attachment of Alpha Particles to HCN and HNC // Physical Review Letters, 92 (2004), 13; 001-004 (međunarodna recenzija, članak, znanstveni)
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47.Maksić, Zvonimir B.; Vianello, RobertTailoring of Strong Neutral Organic Superacids: DFT-B3LYP Calculations on some Fulvene Derivatives // New journal of chemistry, 28 (2004), 843-846 (međunarodna recenzija, članak, znanstveni)
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48.Antol, Ivana; Eckert-Maksić, Mirjana; Lischka, Hans; Maksić, Zvonimir B.On the Bond-Stretch Isomerism in Benzo[1, 2:4, 5]dicyclobutadiene System - An Ab Initio MR-AQCC Study // ChemPhysChem, 5 (2004), 975-981 (međunarodna recenzija, članak, znanstveni)
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49.Barić, Danijela; Maksić, Zvonimir B.; Vianello, RobertOn the Atomic Additivity of the Zero Point Vibrational Energy in Molecules // Journal of molecular structure. Theochem, 1-3 (2004), 672; 201-207 (međunarodna recenzija, članak, znanstveni)
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50.Sleno, Lekha; Kovačević, Borislav; Maksić, Zvonimir B.; Volmer, Dietrich A.Gas-phase Dissociation Reactions of Protonated Saxitoxin and Neosaxitoxin // Journal of the American Society for Mass Spectrometry, 15 (2004), 462-477 (međunarodna recenzija, članak, znanstveni)
