- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
2004, Volume 69, Issue 1
General, Theoretical and Physical Chemistry
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pp. 1-12
Vladimír Lukeš, Viliam Laurinc*, Michal Ilčin and Stanislav Biskupič On the Structure and Physical Origin of the Weak Interaction Between H and CO -
pp. 13-33
Dimitrios A. Pantazis, Athanassios C. Tsipis and Constantinos A. Tsipis* Theoretical Study on the Mechanism of Reaction of Ground-State Fe Atoms with Carbon Dioxide -
pp. 34-46
Lidia Smentek Magnetic Linear Birefringence in Rare Earth Systems. II. Third-Order Approach -
pp. 47-62
Yinghong Sheng and Jerzy Leszczynski* Theoretical Study of the Substituent and Solvent Effects on the Molecular Structures, Absorption and Emission Spectra of Open-Form Spiropyrans -
pp. 63-72
Danuta Michalska* and Rafał Wysokiński Molecular Structure and Bonding in Platinum-Picoline Anticancer Complex: Density Functional Study -
pp. 73-89
Veronika Horká, Svatopluk Civiš*, Vladimír Špirko and Kentarou Kawaguchi The Infrared Spectrum of CN in Its Ground Electronic State -
pp. 90-104
Josef Paldus and Xiangzhu Li Can We Avoid the Intruder-State Problems in the State-Universal Coupled-Cluster Approaches While Preserving Size Extensivity? -
pp. 105-120
Peter R. Surján* and Ágnes Szabados Convergence Enhancement in Perturbation Theory -
pp. 121-140
Renata Tokarz-Sobieraj, Robert Grybos, Małgorzata Witko* and Klaus Hermann Oxygen Sites at Molybdena and Vanadia Surfaces: Energetics of the Re-Oxidation Process -
pp. 141-176
Michał Przybytek, Konrad Patkowski and Bogumił Jeziorski* Convergence Behavior of Symmetry-Adapted Perturbation Expansions for Excited States. A Model Study of Interactions Involving a Triplet Helium Atom -
pp. 177-188
Jiří Fišer*, Tomáš Boublík and Rudolf Polák Intermolecular Interactions in the (CO2)2, N2-CO2 and CO-CO2 Complexes -
pp. 189-212
Juraj Raab, Andrej Antušek, Stanislav Biskupič and Miroslav Urban* A Coupled Cluster Study of van der Waals Interactions of the He Atom with CN, NO and O2 Radicals -
pp. 213-230
Ivan Černušák*, Susan K. Gregurick, Marjorie Roswell, Carol A. Deakyne, H. Donald Brooke Jenkins and Joel F. Liebman* Additivity of Absolute Entropies -
pp. 231-241
Petr Kulhánek, Milan Potáček and Jaroslav Koča* Quantum-Chemical Insight Into Mechanism of Combined Intra-Intermolecular Cycloaddition
Organic, Bioorganic and Medicinal Chemistry
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pp. 242-260
Michal Rejňák, Jiří Klíma, Jiří Svoboda and Jiří Ludvík* Synthesis and Electrochemical Reduction of Methyl 3-Halo-1-benzothiophene-2-carboxylates -
pp. 261-266
B. Andes Hess, Jr. Formation of Ring A in the Biosynthesis of Hopanoids from Squalene. A Density Functional Study
* In paper with more than one author, the asterisk indicates the name of the author to whom correspondence should be addressed.
