Skoči na glavni sadržaj

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

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

Sadržaj

Puni tekst

Graphical Abstracts and Contents (str. CVII-CXV)

Redaction
Kazalo

engleski pdf 7887kb
Editorial (str. CXVII-CXVII)

Davor Margetić, Robert Vianello
Uvodnik

engleski pdf 56kb
Scientific Journey of Zvonimir Maksić (str. CXIX-CXXXI)

Davor Margetić, Robert Vianello
Životopis

engleski pdf 1263kb
Acidity Enhancement of the Cyclopentadiene Ring by PH2 and AsH2 Substitution (str. 1-6)

Marcela Hurtado, Otilia Mó, Manuel Yáñez, Jean-Claude Guillemin
Izvorni znanstveni članak

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
Izvorni znanstveni članak

engleski pdf 5262kb
Predicting the Acidities of Substituted Phenols Using Electrostatic Potential at Nuclei (str. 21-25)

Maria Dimitrova, Boris Galabov
Izvorni znanstveni članak

engleski pdf 564kb
Acidifying Effect of an N-Oxide Group – A Useful Motif in Enhancing Acidity towards Superacidic Values (str. 27-39)

Robert Vianello
Izvorni znanstveni članak

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

Zhixin Tian, Alireza Fattahi, Lev Lis, Steven R. Kass
Izvorni znanstveni članak

engleski pdf 1367kb
Gas-phase Basicity of Glycine (str. 47-61)

Guy Bouchouxa, Ru Xuan Chia
Izvorni znanstveni članak

engleski pdf 2760kb
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
Izvorni znanstveni članak

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
Izvorni znanstveni članak

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
Izvorni znanstveni članak

engleski pdf 3828kb
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
Izvorni znanstveni članak

engleski pdf 6154kb
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
Izvorni znanstveni članak

engleski pdf 4178kb
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
Izvorni znanstveni članak

engleski pdf 6597kb
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
Izvorni znanstveni članak

engleski pdf 6579kb
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
Izvorni znanstveni članak

engleski pdf 4402kb
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
Izvorni znanstveni članak

engleski pdf 4849kb
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
Izvorni znanstveni članak

engleski pdf 4143kb
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
Izvorni znanstveni članak

engleski pdf 3453kb
Barriers about Double Carbon-Nitrogen Bond in Imine Derivatives (Aldimines, Oximes, Hydrazones, Azines) (str. 173-183)

Fernando Blanco, Ibon Alkorta, José Elguero
Izvorni znanstveni članak

engleski pdf 3495kb
Covalent Character of Hydrogen Bonds Enhanced by π-Electron Delocalization (str. 185-192)

Sławomir Janusz Grabowski
Izvorni znanstveni članak

engleski pdf 3028kb
Bonding, Reactivity and Aromaticity in Some Beryllocene Derivatives (str. 193-205)

Soma Duley, Puja Goyal, Santanab Giri, Pratim Kumar Chattaraj
Izvorni znanstveni članak

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
Izvorni znanstveni članak

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
Izvorni znanstveni članak

engleski pdf 3912kb
Comparison of Gold Bonding with Mercury Bonding (str. 233-243)

Elfi Kraka, Michael Filatov, Dieter Cremer
Izvorni znanstveni članak

engleski pdf 10977kb
On the Magnetic Exchange Parameter for an O−Cu−Cu−O Component of CuII Carboxylate Dimers (str. 245-251)

Richard D. Harcourt
Izvorni znanstveni članak

engleski pdf 2581kb
Dipole Polarizabilities of Fluorinated Hydrocarbons (str. 253-259)

Ladislav Éhn, Ivan Černušák, Pavel Neogrády
Izvorni znanstveni članak

engleski pdf 1621kb
On the Angular Independence of Sets of Atomic Orbitals (str. 261-265)

Joel F. Liebman, Zelek S. Herman
Izvorni znanstveni članak

engleski pdf 1213kb
Molecular Surfaces, van der Waals Radii and Electrostatic Potentials in Relation to Noncovalent Interactions (str. 267-275)

Jane S. Murray, Peter Politzer
Izvorni znanstveni članak

engleski pdf 14119kb
Theoretical Aspects of Molecular Recognition (str. 277-282)

Veronika Harmat, Gábor Náray-Szabó
Izvorni znanstveni članak

engleski pdf 3364kb
The Importance of Step Control in Optimization Methods (str. 283-290)

Jorge M. del Campo, Andreas M. Köster
Izvorni znanstveni članak

engleski pdf 3469kb
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
Izvorni znanstveni članak

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
Izvorni znanstveni članak

engleski pdf 11278kb
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
Izvorni znanstveni članak

engleski pdf 2272kb
Carcinogenicity of Styrene Oxide: Calculation of Chemical Reactivity (str. 317-322)

Mojca Kržan, Janez Mavri
Izvorni znanstveni članak

engleski pdf 2637kb
High Resistance Compensation Method for Surface Potential Measurement (str. 323-327)

Nikola Kallay, Tajana Preočanin, Atiđa Selmani, Filip Šupljika, Ivan Leniček
Izvorni znanstveni članak

engleski pdf 3254kb
Analysis of Summer 2006 Ozone Pollution in Zagreb (str. 329-335)

Gordana Pehnec, Leo Klasinc, Glenda Šorgo, Vladimira Vađić
Izvorni znanstveni članak

engleski pdf 11544kb
Review of the book Living Heritage of Vladimir Prelog, by M. Kaštelan-Macan (str. A1-A1)

Nenad Trinajstić
Recenzija, Prikaz slučaja

engleski pdf 833kb
Instructions to Authors (str. A2-A2)

Redaction
Ostalo

engleski pdf 1045kb
Annual subscription rates (str. A3-A3)

Redaction
Ostalo

engleski pdf 35kb
Advertisment PLIVA, Zagreb (str. A4-A4)


Ostalo

engleski pdf 1774kb
Advertisment GlaxoSmithKline, Zagreb (str. A5-A5)


Ostalo

engleski pdf 1774kb
Front Cover Pages (str. 0-0)

Redaction
Ostalo

engleski pdf 224kb

Posjeta: 95.913 *