Volume 22,
Number 1,
1998
- Szczepan Roszak, Henryk Chojnacki:
The Performance of the Density Functional Theory on Reaction Pathways Requiring the Multideterminantal Description.
3-5
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- Krzysztof Strasburger:
Approximate Representation of the Molecular Electron Density: An Application to the Water Dimer and Solvated Positron.
7-12
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- Andrzej Jaworski:
Application of Reaction Path Concept in Intramolecular Proton Transfer.
13-20
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- Wojciech M. Gancza, Tadeusz Paszkiewicz:
The Application of Object-oriented Programming to Monte Carlo Experiments on Beams of Phonons in Crystals.
21-30
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- Wojciech Bartkowiak, Józef Lipiski:
Solvent Effect on the Nonlinear Optical Properties of Para-nitroaniline Studied By Langevin Dipoles-Monte Carlo (LD/MC) Approach.
31-37
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- Henryk Galina, Jaromir Lechowicz:
An Algorithm for Monte Carlo Modeling of Degradation of Polymer Networks.
39-41
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- Ewa Hawlicka, Dorota Swiatla-Wojcik:
MD Simulation of a NaCl Solution in Equimolar Methanol-water Mixture.
43-47
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- Wieslaw Nowak:
Computer Modelling of Dynamics of Ser92X Deoxymyoglobin Mutants.
49-59
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- Irena 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.
61-70
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- Witold M. Bartczak, Krystyna Wolf, Andries Hummel:
Computer Simulation Studies of Recombination of Ions in Multi Ion-pair Ensembles--I. Diffusion-controlled Processes.
71-78
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- Witold 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.
79-87
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- Krysztof T. Wojciechowski, A. Malecki, Barbara Prochowska-Klisch:
REACTKIN--a Program for Modelling the Chemical Reactions in Electrolytes Solutions.
89-94
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- Jerzy P. Hawranek, Andrzej S. Muszynski:
On the Determination of Optical Constants of Liquids in the Infrared Region.
95-100
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- Wladyslaw Wrzeszcz, Andrzej S. Muszynski, Jerzy P. Hawranek:
Analysis of IR Thin-film Transmission Spectra of Liquid Tri-n-propylamine.
101-111
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- Stanislaw Tryka:
Cut-off Filter Method for Light-induced Photon Emission Spectra Estimation.
113-118
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- Wiestawa B. Mroczyk, Krzysztof M. Michalski:
Application of Modern Computer Methods for Recognition of Chemical Compounds in NIRS.
119-122
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- Jacek Leluk:
A New Algorithm for Analysis of the Homology in Protein Primary Structure.
123-131
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- Zdzislaw S. Hippe:
Design and Application of an Intelligent Information System SCANKEE for Solving Selected Chemical Problems.
133-140
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- Grzegorz Fic, Grzegorz Nowak:
Extended Concept of Reaction Generators in an Organic Reaction Prediction System CSB.
141-145
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- Grzegorz Nowak, Grzegorz Fic:
Implementation of Commonsense Reasoning in Organic Reaction Prediction System CSB.
147-152
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- Barbara J. Debska:
Knowledge Transform From a Set of Cases to Production Rule Knowledgebase.
153-159
Electronic Edition (link) BibTeX
Volume 22,
Numbers 2-3,
1998
Volume 22,
Number 4,
1998
- Igor Strokov:
One More Macropackage for Typesetting Structural Formulae with LaTeX.
269-277
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- Davor Juretic, Damir Zucic, Bono Lucic, Nenad Trinajstic:
Preference Functions for Prediction of Membrane-buried Helices in Integral Membrane Proteins.
279-294
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- James C. Phillips:
Algebraic Constructs for the Graphical and Computational Solution to Balancing Chemical Equations.
295-308
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- Thy-Hou Lin, Wen-Jiun Peng, Yuh-Jy Lu:
Identification of Convexity As a Common Structure Feature for Structures Generated for Two Short Peptides.
309-320
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- Paul A. D. de Maine, Xia Ping:
High-speed Manipulation of Information Representations. I. Normalization and Mobile Canonicalization.
321-330
Electronic Edition (link) BibTeX
- Wayne J. Pullan:
Genetic Operators for a Two-dimensional Bonded Molecular Model.
331-338
Electronic Edition (link) BibTeX
- Alexander I. Denesyuk, Konstantin A. Denessiouk, Vladimir P. Zav'yalov, Juhani Lundell, Timo Korpela:
Analogous Conformations of Both Binding and Effector Regions in Cyclosporin A, FK505and Rapamycin.
339-344
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- Milan Keser, Samuel I. Stupp:
A Genetic Algorithm for Conformational Search of Organic Molecules: Implications for Materials Chemistry.
345-351
Electronic Edition (link) BibTeX
Volume 22,
Number 5,
1998
- Camelia Muñoz-Caro, Alfonso Niño:
Neural Modeling of Torsional Potential Hypersurfaces in Non-rigid Molecules.
355-361
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- Krystyna Wieczorek-Ciurowa:
Application of Optimization Methods to Solid Phase Analysis of Combustion Gases Desulphurization Products.
363-367
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- M. J. L. Schoonman, Ronald M. A. Knegtel, Peter D. J. Grootenhuis:
Practical Evaluation of Comparative Modelling and Threading Methods.
369-375
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- Moisés Meza Pariona, I. L. Müller:
Numerical Simulation and Factorial Design of Titanium Crevice Corrosion in Sodium Chloride Solution.
377-384
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- Zhao Weixiang, Chen Dezhao, Hu Shangxu:
Potential Function Based Neural Networks and Its Application to the Classification of Complex Chemical Patterns.
385-391
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- Lu Xu, Jia-An Yang:
Chemical Environment Code and Measure of Molecular Similarity.
393-398
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- Paulo Fernando Bruno Gonçalves, Mariane Axt, Valentim Emílio Uberti Costa, Paolo Roberto Livotto:
Determination of NMR Shift Reagent Position By the Pseudocontact Model.
399-403
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- Aixia Yan, Ruisheng Zhang, Mancang Liu, Zhide Hu, Martin A. Hooper, Zhengfeng Zhao:
Large Artificial Neural Networks Applied to the Prediction of Retention Indices of Acyclic and Cyclic Alkanes, Alkenes, Alcohols, Esters, Ketones and Ethers.
405-412
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- Guy Huybrechts, Guy Van Assche:
Software Note: OPTKIN - Mechanistic Modeling By Kinetic and Thermodynamic Parameter Optimization.
413-417
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- Lee F. Brown, Michael H. Ebinger:
Modeling Precipitation From Concentrated Solutions with the EQ3/6Chemical Speciation Codes.
419-427
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- Tom E. Simos:
New Embedded Explicit Methods with Minimal Phase-lag for the Numerical Integration of the Schrödinger Equation.
433-440
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Volume 22,
Number 6,
1998
Copyright © Sat May 16 23:52:17 2009
by Michael Ley (ley@uni-trier.de)
