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Croatica Chemica Acta, Vol.82 No.1

Datum izdavanja: Lipanj 2009.

Objavljen na Hrčku: 03.07.2009.
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Graphical Abstracts and Contents (str.CVII-CXV) engleskipdf 8 MB
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Editorial (str.CXVII-CXVII) engleskipdf 56 KB
Davor Margetić, Robert Vianello
Uvodnik
 
Scientific Journey of Zvonimir Maksić (str.CXIX-CXXXI) engleskipdf 1 MB
Davor Margetić, Robert Vianello
Životopis
 
Acidity Enhancement of the Cyclopentadiene Ring by PH2 and AsH2 Substitution (str.1-6) engleskipdf 3 MB
Marcela Hurtado, Otilia Mó, Manuel Yáñez, Jean-Claude Guillemin
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Gaseous [CnH2n+1+ ... 1,3-Diphenylpropane] Ion/Neutral Complexes Containing Alkyl Cations of Different Acidities and Hydride Ion Affinities (str.7-19) engleskipdf 5 MB
Carsten Matthias, Dietmar Kuck
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Predicting the Acidities of Substituted Phenols Using Electrostatic Potential at Nuclei (str.21-25) engleskipdf 564 KB
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) engleskipdf 2 MB
Robert Vianello
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Neutral Intramolecular Hydrogen-Bonded Bases (str.41-45) engleskipdf 1 MB
Zhixin Tian, Alireza Fattahi, Lev Lis, Steven R. Kass
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Gas-phase Basicity of Glycine (str.47-61) engleskipdf 3 MB
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) engleskipdf 2 MB
Zoran Glasovac, Mario Vazdar, Davor Margetić
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Proton and Lithium Cation Binding to Some β-Dicarbonyl Compounds. A Theoretical Study (str.71-77) engleskipdf 4 MB
Peeter Burk, Kristo Taul, Jaana Tammiku-Taul
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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) engleskipdf 4 MB
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) engleskipdf 6 MB
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) engleskipdf 4 MB
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 [L25-C5H5)Fe=CR5]+ (L = CO, PH3, dhpe, PPh3; R = H, F, CH3) (str.115-127) engleskipdf 6 MB
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) engleskipdf 6 MB
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) engleskipdf 4 MB
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) engleskipdf 5 MB
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) engleskipdf 4 MB
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) engleskipdf 3 MB
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) engleskipdf 3 MB
Fernando Blanco, Ibon Alkorta, José Elguero
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Covalent Character of Hydrogen Bonds Enhanced by π-Electron Delocalization (str.185-192) engleskipdf 3 MB
Sławomir Janusz Grabowski
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Bonding, Reactivity and Aromaticity in Some Beryllocene Derivatives (str.193-205) engleskipdf 17 MB
Soma Duley, Puja Goyal, Santanab Giri, Pratim Kumar Chattaraj
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Heptacarbonyldiosmium and Hexacarbonyldiosmium: Two Highly Unsaturated Binuclear Osmium Carbonyls (str.207-218) engleskipdf 9 MB
Bing Xu, Qian-Shu Li, Yaoming Xie, Bruce King, Henry F. Schaefer III
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The Effects of N-Heterocyclic Ligands on the Nature of the Ru–(NO) Bond in Ruthenium Tetraammine Nitrosyl Complexes (str.219-232) engleskipdf 4 MB
Giovanni F. Caramori, Gernot Frenking
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Comparison of Gold Bonding with Mercury Bonding (str.233-243) engleskipdf 11 MB
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) engleskipdf 3 MB
Richard D. Harcourt
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Dipole Polarizabilities of Fluorinated Hydrocarbons (str.253-259) engleskipdf 2 MB
Ladislav Éhn, Ivan Černušák, Pavel Neogrády
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On the Angular Independence of Sets of Atomic Orbitals (str.261-265) engleskipdf 1 MB
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) engleskipdf 14 MB
Jane S. Murray, Peter Politzer
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Theoretical Aspects of Molecular Recognition (str.277-282) engleskipdf 3 MB
Veronika Harmat, Gábor Náray-Szabó
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The Importance of Step Control in Optimization Methods (str.283-290) engleskipdf 3 MB
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) engleskipdf 1 MB
Manoj K. Kesharwani, Bishwajit Ganguly
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Amlodipine Benzenesulfonate: A Mechanistic Investigation of Its Industrial Preparation via Detritylation of N-tritylamlodipine and Related NMR Studies (str.299-309) engleskipdf 11 MB
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) engleskipdf 2 MB
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) engleskipdf 3 MB
Mojca Kržan, Janez Mavri
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High Resistance Compensation Method for Surface Potential Measurement (str.323-327) engleskipdf 3 MB
Nikola Kallay, Tajana Preočanin, Atiđa Selmani, Filip Šupljika, Ivan Leniček
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Analysis of Summer 2006 Ozone Pollution in Zagreb (str.329-335) engleskipdf 11 MB
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) engleskipdf 833 KB
Nenad Trinajstić
Recenzija, Prikaz
 
Instructions to Authors (str.A2-A2) engleskipdf 1 MB
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Annual subscription rates (str.A3-A3) engleskipdf 35 KB
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Advertisment PLIVA, Zagreb (str.A4-A4) engleskipdf 2 MB
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Advertisment GlaxoSmithKline, Zagreb (str.A5-A5) engleskipdf 2 MB
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Front Cover Pages engleskipdf 224 KB
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