Pregled po projektu: 0098058
Pronađeno 85 radova
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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)
