Journal: Computers & Chemistry

Volume 22, Issue 1

3 -- 5Szczepan Roszak, Henryk Chojnacki. The Performance of the Density Functional Theory on Reaction Pathways Requiring the Multideterminantal Description
7 -- 12Krzysztof Strasburger. Approximate Representation of the Molecular Electron Density: An Application to the Water Dimer and Solvated Positron
13 -- 20Andrzej Jaworski. Application of Reaction Path Concept in Intramolecular Proton Transfer
21 -- 30Wojciech M. Gancza, Tadeusz Paszkiewicz. The Application of Object-oriented Programming to Monte Carlo Experiments on Beams of Phonons in Crystals
31 -- 37Wojciech Bartkowiak, Józef Lipiski. Solvent Effect on the Nonlinear Optical Properties of Para-nitroaniline Studied By Langevin Dipoles-Monte Carlo (LD/MC) Approach
39 -- 41Henryk Galina, Jaromir Lechowicz. An Algorithm for Monte Carlo Modeling of Degradation of Polymer Networks
49 -- 59Wieslaw Nowak. Computer Modelling of Dynamics of Ser92X Deoxymyoglobin Mutants
61 -- 70Irena Roterman, Janina Rybarska, Leszek Konieczny, Marek Skowronek, Barbara Stopa, Barbara Piekarska, Grzegorz Bakalarski. Congo Red Bound to -1-Proteinase Inhibitor As a Model of Supramolecular Ligand and Protein Complex
71 -- 78Witold M. Bartczak, Krystyna Wolf, Andries Hummel. Computer Simulation Studies of Recombination of Ions in Multi Ion-pair Ensembles--I. Diffusion-controlled Processes
79 -- 87Witold M. Bartczak, Andries Hummel. Computer Simulation Studies of Recombination of Ions in Multi Ion-pair Ensembles--II. Processes Characterized By Long Mean Free Paths of Charged Species
89 -- 94Krysztof T. Wojciechowski, A. Malecki, Barbara Prochowska-Klisch. REACTKIN--a Program for Modelling the Chemical Reactions in Electrolytes Solutions
95 -- 100Jerzy P. Hawranek, Andrzej S. Muszynski. On the Determination of Optical Constants of Liquids in the Infrared Region
101 -- 111Wladyslaw Wrzeszcz, Andrzej S. Muszynski, Jerzy P. Hawranek. Analysis of IR Thin-film Transmission Spectra of Liquid Tri-n-propylamine
119 -- 122Wiestawa B. Mroczyk, Krzysztof M. Michalski. Application of Modern Computer Methods for Recognition of Chemical Compounds in NIRS
123 -- 131Jacek Leluk. A New Algorithm for Analysis of the Homology in Protein Primary Structure
133 -- 140Zdzislaw S. Hippe. Design and Application of an Intelligent Information System SCANKEE for Solving Selected Chemical Problems
141 -- 145Grzegorz Fic, Grzegorz Nowak. Extended Concept of Reaction Generators in an Organic Reaction Prediction System CSB
147 -- 152Grzegorz Nowak, Grzegorz Fic. Implementation of Commonsense Reasoning in Organic Reaction Prediction System CSB
153 -- 159Barbara J. Debska. Knowledge Transform From a Set of Cases to Production Rule Knowledgebase