- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
2008, Volume 73, Issue 6-7
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pp. 733-744
Eva Pluhařová and Pavel Jungwirth* The Onset of Ion Solvation by ab initio Calculations: Comparison of Water and Methanol -
pp. 745-754
Štěpán Pick Tailoring the Surface Reactivity: Comparison of Pd/Nb(110) and Rh/Nb(110) -
pp. 755-770
Andriy Pysanenko, Ján Žabka and Zdeněk Herman* Scattering of Low-Energy (5-12 eV) C2D4•+ Ions from Room-Temperature Carbon Surfaces -
pp. 771-785
Masahiro Ehara* and Hiroshi Nakatsuji* Geometry Relaxations After Inner-Shell Excitations and Ionizations -
pp. 786-794
B. Andes Hess, Jr.* and Lidia Smentek The Concerted Nature of the Enzymatic Cyclization of Rings A-D of Squalene to Hopene -
pp. 795-810
Pavol Baňacký Aspects of Electronic Structure Instability in Search for New Superconductors: Superconducting Boride at Liquid Nitrogen Temperature? -
pp. 811-821
Jana Roithová, Claire L. Ricketts and Detlef Schröder* On the C-C Coupling of the Naphthylium Ion with Methane -
pp. 822-830
Peter Politzer* and Jane S. Murray The Position-Dependent Reaction Force Constant in Bond Dissociation/Formation -
pp. 831-861
Wolfgang Förner* and Hassan M. Badawi Absence of Conjugation in Vibrational Spectra and Assignments of Dichloro(vinyl)phosphine and Dichloro(phenyl)phosphine Oxides and Sulfides -
pp. 862-872
Weizhou Wang and Pavel Hobza* Application of Berlin's Theorem to Bond-Length Changes in Isolated Molecules and Red- and Blue-Shifting H-Bonded Clusters -
pp. 873-897
Vladimír Špirko, Ota Bludský and Wolfgang P. Kraemer* Energies and Electric Dipole Moments of the Bound Vibrational States of HN2+ and DN2+ -
pp. 898-908
Jean-Marie André*, Denis Jacquemin, Eric A. Perpete, Daniel P. Vercauteren and Valérie Wathelet Assessment of the Accuracy of TD-DFT Absorption Spectra: Substituted Benzenes -
pp. 909-920
Stepan Sklenak*, Jiří Dědeček, Chengbin Li, Fei Gao, Bavornpon Jansang, Bundet Boekfa, Blanka Wichterlová and Joachim Sauer Aluminum Siting in the ZSM-22 and Theta-1 Zeolites Revisited: A QM/MM Study -
pp. 921-936
Jan Řezáč, Karel Berka, Dominik Horinek, Pavel Hobza* and Jiří Vondrášek* The Stabilization Energy of the GLU-LYS Salt Bridge in the Protein/Water Environment: Correlated Quantum Chemical ab initio, DFT and Empirical Potential Studies -
pp. 937-944
András T. Rokob, Ágnes Szabados and Peter R. Surján* A Note on the Symmetry Properties of Löwdin's Orthogonalization Schemes
* In paper with more than one author, the asterisk indicates the name of the author to whom correspondence should be addressed.
