- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
2003, Volume 68, Issue 3
General, Theoretical and Physical Chemistry
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pp. 423-446
Paraskevas Karipidis, Athanassios C. Tsipis and Constantinos A. Tsipis* Density Functional Study of the Electronic Structure and Related Properties of Pt(NO)/Pt(NO2) Redox Couples -
pp. 447-462
Silmar A. do Monte*, Michal Dallos, Thomas Müller and Hans Lischka* MR-CISD and MR-AQCC Calculation of Excited States of Malonaldehyde: Geometry Optimizations Using Analytical Energy Gradient Methods and a Systematic Investigation of Reference Configuration Sets -
pp. 463-488
Małgorzata Jeziorska, Robert Bukowski, Wojciech Cencek, Michał Jaszuński, Bogumił Jeziorski* and Krzysztof Szalewicz On the Performance of Bond Functions and Basis Set Extrapolation Techniques in High-Accuracy Calculations of Interatomic Potentials. A Helium Dimer Study -
pp. 489-508
Yinghong Sheng and Jerzy Leszczynski* A Comprehensive Computational Study on OCH+-Rg (Rg = He, Ne, Ar, Kr, Xe) Complexes -
pp. 509-528
Rudolf Polák* and Jiří Fišer The Rovibrational Dependence of the 14N Nuclear Quadrupole Coupling Constants in the X2Σ+ and B2Σ+ States of CN from the Multireference CI Approach -
pp. 529-553
Ivana Paidarová* and Philippe Durand Quantum Resonances: Line Profiles and Dynamics -
pp. 554-586
Josef Paldus* and Xiangzhu Li Externally Corrected Coupled-Cluster Approaches: Energy versus Amplitude Corrected CCSD -
pp. 587-626
Jacek Jakowski, Grzegorz Chałasiński*, Małgorzata M. Szczęśniak and Slawomir M. Cybulski Modeling of the Three-Body Effects in the Neutral Trimers in the Quartet State by ab initio Calculations. H3, Na3, and Na2B -
pp. 627-643
Muthusamy Venkatraj, Markus G. Müller, Hanspeter Huber* and Robert J. Gdanitz Calculation of Thermodynamical, Transport and Structural Properties of Neon in Liquid and Supercritical Phases by Molecular Dynamics Simulations Using an Accurate ab initio Pair Potential
Inorganic and Organometallic Chemistry
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pp. 644-662
Pawel Rempala and Josef Michl* A Proposed Mechanism of [closo-CB11H12]- Formation by Dichlorocarbene Insertion Into [nido-B11H14]-. A Computational Study by Density Functional Theory
* In paper with more than one author, the asterisk indicates the name of the author to whom correspondence should be addressed.
