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Journal: Computers & Chemistry

Volume 18, Issue 4

359 -- 362F. T. Chau, B. Cheung, Kin Y. Tam, L. K. Li. Application of a Bi-directional Associative Memory (BAM) Network in Computer Assisted Learning in Chemistry
371 -- 376Karl Nedwed, Karl Gatterer, Harald Paulson Fritzer. SYMAPPS 1.0: A Software Packet for Group Theoretical Applications to Molecular Symmetry
377 -- 385Luis Fernández Pacios. ARVOMOL/CONTOUR: Molecular Surface Areas and Volumes on Personal Computers
387 -- 390Roman Wojsz, Ryszard Mikulski. A Microcomputer Program for the Determination of the Structural Parameters of Microporous Solids
391 -- 396Xin-Hua Song, Min Xiao, Ru-Qin Yu. Artificial Neural Networks Applied to Classification of Mutagenic Activity of Nitro-substituted Polycyclic Aromatic Hydrocarbons
397 -- 403Søren Balling Engelsen, Jesper Fabricius, Kjeld Rasmussen. Interactive Graphical Optimization of Potential Energy Function Parameters in the Consistent Force Field
405 -- 411Enrico Cavalli, Roberto Cammi. SYMMETRY: A Computer Program for the Analysis of the Distortions of the MX::6::(O::h::) and MX::a::(T::d::) Complexes in Crystalline Environments
413 -- 417Camelia Muñoz-Caro, Alfonso Niño. Vibrational Energy Levels and Vibronic Structure of Electronic Spectra in Molecules with Large Amplitude Motions
419 -- 429S. Bhattacharjee. Haloethanes, Geometric Volume and Atomic Contribution Method
431 -- 0Ante Graovac. The Eighth Dubrovnik MATH/CHEM/COMP International Course and Conference and the First Croatian Meeting on Fullerenes
433 -- 434Øyvind Edvardsen. CLIFF: A Command-line File Specification Front-end to Unix Programs. Application to AMBER 4
435 -- 436Nenad Trinajstic. Chemical Nomenclatures and the Computer
437 -- 0Barry K. Lavine. Chemometrics for Analytical Chemistry, Vol I: PC-Aided Statistical Data Analysis
437 -- 438John De Catrel. Practical Computer Vision in C

Volume 18, Issue 3

0 -- 0Andrzej K. Konopka. Computational Experiments in Molecular Biology: Searching for the Big Picture
203 -- 205James W. Fickett. Inferring Genes From Open Reading Frames
207 -- 220David S. Greenberg, Sorin Istrail. The Chimeric Mapping Problem: Algorithmic Strategies and Performance Evaluation on Synthetic Genomic Data
221 -- 223Pavel A. Pevzner. Rearrangements of DNA Sequences and SBH
225 -- 231Patrick Argos, Ruben Abagyan. The Protein Folding Problem: Finding a Few Minimums in a Near Infinite Space
233 -- 243Jaap Heringa. The Evolution and Recognition of Protein Sequence Repeats
245 -- 249Kerr Hatrick, William R. Taylor. Sequence Conservation and Correlation Measures in Protein Structure Prediction
251 -- 253Volker Brendel, Samuel Karlin. Applications of Statistical Criteria in Protein Sequence Analysis: Case Study of Yeast RNA Polymerase II Subunits
259 -- 267Mark Borodovsky, Anatoly Peresetsky. Deriving Non-homogeneous DNA Markov Chain Models by Cluster Analysis Algorithm Minimizing Multiple Alignment Entropy
269 -- 285John C. Wootton. Non-globular Domains in Protein Sequences: Automated Segmentation Using Complexity Measures
287 -- 294Jean-Michel Claverie. Some Useful Statistical Properties of Position-weight Matrices
295 -- 324Peter Schuster, Peter F. Stadler. Landscapes: Complex Optimization Problems and Biopolymer Structures
325 -- 331Richard Gordon. Evolution Escapes Rugged Fitness Landscapes by Gene Or Genome Doubling: the Blessing of Higher Dimensionality
333 -- 345Natalie K. Björklund, Richard Gordon. Surface Contraction and Expansion Waves Correlated with Differentiation in Axolotl Embryos - I. Prolegomenon and Differentiation During Invagination Through the Blastopore, As Shown by the Fate Map
347 -- 352Robert Rosen. What Is Biology?
353 -- 357Richard Wesley Hamming. Science Is in the Eye of the Beholder

Volume 18, Issue 2

89 -- 94Paul C. Yates, Anna K. Marsden. A Modified MM2 Program for Molecular Mechanics Calculations on Coordination Compounds
95 -- 102Zhong-Heng Yu. Quantitative Perturbational Molecular Orbital Analysis of the Conformational Preference of Aniline Molecule and Its Intramolecular Force
103 -- 108Li-Xian Sun, Yu-Long Xie, Xin-Hua Song, Ji-Hong Wang, Ru-Qin Yu. Cluster Analysis by Simulated Annealing
109 -- 116Shinsaku Fujita. Typesetting Structural Formulae with the Text Formatter TeX/LaTeX
117 -- 126Ramon Carbó, Emili Besalú. Definition, Mathematical Examples and Quantum Chemical Applications of Nested Summation Symbols and Logical Kronecker Deltas
127 -- 136Carlos B. Lucasius, Gerrit Kateman. Gates Towards Evolutionary Large-scale Optimization: A Software-oriented Approach to Genetic Algorithms - I. General Perspective
137 -- 156Carlos B. Lucasius, Gerrit Kateman. Gates Towards Evolutionary Large-scale Optimization: A Software-oriented Approach to Genetic Algorithms - II. Toolbox Description
157 -- 172J. R. M. Smits, Willem J. Melssen, G. J. Daalmans, Gerrit Kateman. Using Molecular Representations in Combination with Neural Networks. a Case Study: Prediction of the HPLC Retention Index
173 -- 187Ovanes G. Mekenyan, Stoyan Karabunarliev, Julian M. Ivanov, Dimitar N. Dimitrov. A New Development of the Oasis Computer System for Modeling Molecular Properties
189 -- 193Stoyan Karabunarliev, Julian M. Ivanov, Ovanes G. Mekenyan. Coding of Chemical Structures Based on a Line Notation
195 -- 197João B. Marques Novo, Francisco B. T. Pessine. A Computer Program for the Simulation of Boxcar Integrator, Averager System in Luminescence Decay Kinetic Experiments
199 -- 201Yong L. Xiao, Donald E. Williams. Game: Genetic Algorithm for Minimization of Energy, an Interactive Program for Three-dimensional Intermolecular Interactions

Volume 18, Issue 1

5 -- 11Ludovic Mouron, Stephane Grandjean, Jean-Jacques Legendre, Gérard Picard. A New Method for the Structural Modelling of Disordered Compounds - application to Molten NaCl
13 -- 20F. T. Chau, Kin Y. Tam. Application of the Fast Fourier Transform Method for Compression of Spectral Data Obtained From a Photodiode Array Spectrophotometer
21 -- 25Jaroslava Hlavácová, Peter Sevcík. Numerical Study of Concentration Fluctuations and Stirring Effects in a Batch Reactor
27 -- 32Alfonso Niño, Camelia Muñoz-Caro. Computation of Kinetic Constants for Large Range Internal Motions in Molecules
33 -- 43Hui-Hsien Chou, James A. Reggia, Rafael Navarro-Gonzalez, Jayoung Wu. An Extended Cellular Space Method for Simulating Autocatalytic Oligonucleotides
45 -- 54Tamás Turányi. Parameterization of Reaction Mechanisms Using Orthonormal Polynomials
55 -- 59Carlos Vega, Santiago Lago. A Fast Algorithm to Evaluate the Shortest Distance Between Rods
61 -- 71S. Bhattacharjee, Purnendu K. Dasgupta. Molecular Property Correlation in Alkanes with Geometric Volume
73 -- 79Bjørg N. Cyvin, Jon Brunvoll, Sven J. Cyvin. Isomers of Polycyclic Conjugated Hydrocarbons with Arbitrary Ring Sizes - Part II
81 -- 88B. G. Derendyaev, Konstantin S. Lebedev, S. A. Nekhoroshev, S. P. Kirshansky. Computer-aided Determination of Microfragmentary Composition of Organic Molecule by Mass-, and :::1:::H- and :::13:::C-NMR Spectra
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