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Croatica Chemica Acta , Vol. 82 No. 1, 2009.

  • Datum izdavanja: 30.06.2009.
  • Objavljen na Hrčku: 03.07.2009.

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Graphical Abstracts and Contents (str. CVII-CXV)

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Kazalo

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Editorial (str. CXVII-CXVII)

Davor Margetić, Robert Vianello
Uvodnik

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Scientific Journey of Zvonimir Maksić (str. CXIX-CXXXI)

Davor Margetić, Robert Vianello
Životopis

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Acidity Enhancement of the Cyclopentadiene Ring by PH2 and AsH2 Substitution (str. 1-6)

Marcela Hurtado, Otilia Mó, Manuel Yáñez, Jean-Claude Guillemin
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engleski pdf 2637kb
Gaseous [CnH2n+1+ ... 1,3-Diphenylpropane] Ion/Neutral Complexes Containing Alkyl Cations of Different Acidities and Hydride Ion Affinities (str. 7-19)

Carsten Matthias, Dietmar Kuck
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Predicting the Acidities of Substituted Phenols Using Electrostatic Potential at Nuclei (str. 21-25)

Maria Dimitrova, Boris Galabov
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Acidifying Effect of an N-Oxide Group – A Useful Motif in Enhancing Acidity towards Superacidic Values (str. 27-39)

Robert Vianello
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engleski pdf 1978kb
Neutral Intramolecular Hydrogen-Bonded Bases (str. 41-45)

Zhixin Tian, Alireza Fattahi, Lev Lis, Steven R. Kass
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Gas-phase Basicity of Glycine (str. 47-61)

Guy Bouchouxa, Ru Xuan Chia
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Proton Affinities of Didehydroporphyrin and Subporphyrin in Ground and Excited States Obtained by Quantum Chemical Calculations (str. 63-70)

Zoran Glasovac, Mario Vazdar, Davor Margetić
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engleski pdf 2274kb
Proton and Lithium Cation Binding to Some β-Dicarbonyl Compounds. A Theoretical Study (str. 71-77)

Peeter Burk, Kristo Taul, Jaana Tammiku-Taul
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engleski pdf 3710kb
Assembling Screws: Large Preference for the Homochiral Combination in the Proton-Bound Dimers of 1-Aza[6]helicene in the Gas Phase (str. 79-86)

Jiří Míšek, Miloš Tichý, Irena G. Stará, Ivo Starý, Jana Roithová, Detlef Schröder
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Proton Transfer Chemistry in the Gas Phase. Is a Spontaneous 'Neutralization' Reaction a Myth or a Reality? (str. 87-103)

Ewa D. Raczyńska, Jean-François Gal, Pierre-Charles Maria, Małgorzata Szeląg
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Ultrafast Excited-state Proton Transfer Processes: Energy Surfaces and On-the-fly Dynamics Simulations (str. 105-114)

Adélia J. A. Aquino, Felix Plasser, Mario Barbatti, Hans Lischka
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DFT Studies on Molecular and Electronic Structures of Cationic Carbene Complexes [L2(η5-C5H5)Fe=CR5]+ (L = CO, PH3, dhpe, PPh3; R = H, F, CH3) (str. 115-127)

Isabella Hyla-Kryspin, Christian Mück-Lichtenfeld, Stefan Grimme
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Theoretical Study of Doubly Charged [X(H2O)] and [X(NH3)] (X = Si, Ge, Sn, Pb) Molecular Ions (str. 129-137)

Pablo López-Tarifa, Fernando Martín, Manuel Yáñez, Manuel Alcamí
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Substituent Constants (σp−) of the Rotated Nitro Group. The Interplay Between the Substituent Effect of a Rotated −NO2 Group and H-Bonds Affecting π-Electron Delocalization in 4-Nitrophenol and 4-Nitrophenolate Complexes: a B3LYP/6-311+G** Study (str. 139-147)

Michał A. Dobrowolski, Tadeusz M. Krygowski, Michał K. Cyrański
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Substituent Effects on B−N Bonding and Coupling Constants in Fivemembered Rings N3B2H4X and N2B3H4X, for X = H, F, and Li (str. 149-155)

Janet E. Del Bene, Otilia Mó, Manuel Yáñez
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Reformulating the Woodward-Hoffmann Rules in a Conceptual Density Functional Theory Context: the Case of Sigmatropic Reactions (str. 157-164)

Nick Sablon, Frank de Proft, Paul Geerlings
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The Energetics of Halogenated Ethylenes (Ethynes) and 1,3-Butadienes (Butadiynes): A Computational and Conceptual Study of Substituent Effects and “Dimerization” (str. 165-172)

Carol A. Deakyne, Lawrence H. Warfel IV, Haunani M. Thomas, Dhananjaya Nauduri, Toyosi Esther A. Ajibowo, Nicole J. Carbonaro, Alec G. Simpson, Joel F. Liebman
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Barriers about Double Carbon-Nitrogen Bond in Imine Derivatives (Aldimines, Oximes, Hydrazones, Azines) (str. 173-183)

Fernando Blanco, Ibon Alkorta, José Elguero
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Covalent Character of Hydrogen Bonds Enhanced by π-Electron Delocalization (str. 185-192)

Sławomir Janusz Grabowski
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Bonding, Reactivity and Aromaticity in Some Beryllocene Derivatives (str. 193-205)

Soma Duley, Puja Goyal, Santanab Giri, Pratim Kumar Chattaraj
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engleski pdf 17599kb
Heptacarbonyldiosmium and Hexacarbonyldiosmium: Two Highly Unsaturated Binuclear Osmium Carbonyls (str. 207-218)

Bing Xu, Qian-Shu Li, Yaoming Xie, Bruce King, Henry F. Schaefer III
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engleski pdf 9622kb
The Effects of N-Heterocyclic Ligands on the Nature of the Ru–(NO) Bond in Ruthenium Tetraammine Nitrosyl Complexes (str. 219-232)

Giovanni F. Caramori, Gernot Frenking
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Comparison of Gold Bonding with Mercury Bonding (str. 233-243)

Elfi Kraka, Michael Filatov, Dieter Cremer
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On the Magnetic Exchange Parameter for an O−Cu−Cu−O Component of CuII Carboxylate Dimers (str. 245-251)

Richard D. Harcourt
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Dipole Polarizabilities of Fluorinated Hydrocarbons (str. 253-259)

Ladislav Éhn, Ivan Černušák, Pavel Neogrády
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On the Angular Independence of Sets of Atomic Orbitals (str. 261-265)

Joel F. Liebman, Zelek S. Herman
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Molecular Surfaces, van der Waals Radii and Electrostatic Potentials in Relation to Noncovalent Interactions (str. 267-275)

Jane S. Murray, Peter Politzer
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Theoretical Aspects of Molecular Recognition (str. 277-282)

Veronika Harmat, Gábor Náray-Szabó
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The Importance of Step Control in Optimization Methods (str. 283-290)

Jorge M. del Campo, Andreas M. Köster
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Solvent Effects on the Stereoselectivity of Reaction of Methyl Acrylate, Methyl Methacrylate and Methyl trans-Crotonate with Cyclopentadiene: A Computational Study (str. 291-298)

Manoj K. Kesharwani, Bishwajit Ganguly
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engleski pdf 1371kb
Amlodipine Benzenesulfonate: A Mechanistic Investigation of Its Industrial Preparation via Detritylation of N-tritylamlodipine and Related NMR Studies (str. 299-309)

Borut Furlan, Simona Golič Grdadolnik, Stanko Hočevar, Darko Kocjan, Janez Levec, Howard Maskill, Hana Navrátilová, Jiří Pospíšil, Milan Potáček, Uroš Urleb, Janko Žmitek
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Predictions of Toxicity to Chlorella vulgaris and the Use of Momentum-space Descriptors (str. 311-316)

Jabir H. A. Al-Fahemi, David L. Cooper, Neil L. Allan
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Carcinogenicity of Styrene Oxide: Calculation of Chemical Reactivity (str. 317-322)

Mojca Kržan, Janez Mavri
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High Resistance Compensation Method for Surface Potential Measurement (str. 323-327)

Nikola Kallay, Tajana Preočanin, Atiđa Selmani, Filip Šupljika, Ivan Leniček
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engleski pdf 3254kb
Analysis of Summer 2006 Ozone Pollution in Zagreb (str. 329-335)

Gordana Pehnec, Leo Klasinc, Glenda Šorgo, Vladimira Vađić
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Review of the book Living Heritage of Vladimir Prelog, by M. Kaštelan-Macan (str. A1-A1)

Nenad Trinajstić
Recenzija, Prikaz slučaja

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Instructions to Authors (str. A2-A2)

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Ostalo

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Annual subscription rates (str. A3-A3)

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Advertisment PLIVA, Zagreb (str. A4-A4)


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Advertisment GlaxoSmithKline, Zagreb (str. A5-A5)


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Front Cover Pages (str. 0-0)

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