Computers & Chemistry, Volume 23

Volume 23, Number 1, 1999

• Tom E. Simos:
  An Expert System for the Numerical Solution of the Radial Schrödinger Equation. 1-7
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• Jeffrey M. Friedman:
  Interconversion Between 3D Molecular Representations: Some Macromolecular Applications of Spherical Harmonic-Bessel Expansions about an Arbitrary Center. 9-23
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• Vadim Alexandrov, I. Filippov, Ludwik Adamowicz, William R. Salzman:
  Passing Dynamic Objects by Reference in Fortran 90: Application to Time-dependent Quantum Chemistry. 25-31
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• Klaus Johannsen, Dieter Britz:
  Matrix Stability of the Backward Differentiation Formula in Electrochemical Digital Simulation. 33-41
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• Andrey A. Dobrynin:
  A Simple Formula for the Calculation of the Wiener Index of Hexagonal Chains. 43-48
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• Mati Karelson, Anti Perkson:
  QSPR Prediction of Densities of Organic Liquids. 49-59
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• Shu Tao, Kin Che Lam, Jun Cao, Bengang Li:
  Computer Simulation of Metal Complex Dissociation During Free Metal Determination using Anodic Stripping Voltammetry. 61-68
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• Boris V. Alekseev, Igor V. Kozhevnikov, Nikolai I. Koltsov:
  The Research Computer Method of the Multiplicity of Steady States of Catalytic Reactions. 69-74
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• Juan M. de la Figuera, V. Menendez:
  Determination of Vibrational Energy Distribution in Excited Molecules From Experimental Data. New Program and Test. 75-84
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• Hau-lai Ho, Wai-kuen Cham, Foo-Tim Chau, Jian-yong Wu:
  Application of Biorthogonal Wavelet Transform to the Compression of Ultraviolet-visible Spectra. 85-96
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• Jingke Zhu, Dezhao Chen, Pingdong Wu:
  Exploration of Artificial Neural System for Simulation of the Halogen-exchange Fluorination Reaction. 97-100
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Volume 23, Number 2, 1999

• Juan D. Mozo, Manuel María Domínguez, Emilio Roldán, José Miguel Rodríguez Mellado:
  Automated Impedance Measurements in Electrochemical Cells. 101-107
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• Thy-Hou Lin, Jia-Jiunn Lin, Wen-Jiun Peng, Jin-Hwang Liu:
  Common Structural Folds in Several Protein Pairs Searched by an Iterative Superposition Algorithm. 109-119
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• Jerzy Szczygiel:
  Diffusion in a Bidispersive Grain of a Reforming Catalyst. 121-134
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• Andrzej J. Goraczko, Jacek A. Szymura:
  The Prediction of Relative Abundance of Isotopic Clusters in Mass Spectrometry of Coordination and Organometallic Compounds. 135-142
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• Hongqing Cao, Jingxian Yu, Lishan Kang, Yuping Chen, Yongyan Chen:
  The Kinetic Evolutionary Modeling of Complex Systems of Chemical Reactions. 143-152
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• Robert Reams, Greg Chatham, William Kile Glunt, Daniel McDonald, Tom L. Hayden:
  Determining Protein Structure using the Distance Geometry Program APA. 153-163
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• Ramaswamy Ramakrishna, Ramachandran Srinivasan:
  Gene Identification in Bacterial and Organellar Genomes using GeneScan. 165-174
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• Fred Stevens, Thomas P. Beebe Jr.:
  Computer Modeling of Graphite Oxidation: Differences Between Monolayer and Multilayer Etching. 175-183
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Volume 23, Numbers 3-4, 1999

• Anders Gorm Pedersen, Pierre Baldi, Yves Chauvin, Søren Brunak:
  The Biology of Eukaryotic Promoter Prediction - A Review. 191-207
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• Yves Quentin, Catherine Voiblet, Francis Martin, Gwennaele Fichant:
  Protein-coding Region Discovery in Organisms Under-represented in Databases. 209-217
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• Laurence Vignal, Frédérique Lisacek, Joël Quinqueton, Yves D'Aubenton-Carafa, Claude Thermes:
  A Multi-agent System Simulating Human Splice Site Recognition. 219-231
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• Michael Q. Zhang:
  Promoter Analysis of Co-regulated Genes in the Yeast Genome. 233-250
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• Heather Sasinowska, Maciek Sasinowski:
  An Algorithm for the Assembly of Robust Physical Maps Based on a Combination of Multi-level Hybridization Data and Fingerprinting Data. 251-262
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• Andrei E. Gabrielian, Alexander Bolshoy:
  Sequence Complexity and DNA Curvature. 263-274
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• Maxime Crochemore, Renaud Vérin:
  Zones of Low Entropy in Genomic Sequences. 275-282
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• Wentian Li:
  Statistical Properties of Open Reading Frames in Complete Genome Sequences. 283-301
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• Jean-Christophe Aude, Yolande Diaz-Lazcoz, Jean-Jacques Codani, Jean-Loup Risler:
  Applications of the Pyramidal Clustering Method to Biological Objects. 303-315
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• Jean-Paul Comet, Jean-Christophe Aude, Eric Glémet, Jean-Loup Risler, Alain Hénaut, Piotr P. Slonimski, Jean-Jacques Codani:
  Significance of Z-value Statistics of Smith-Waterman Scores for Protein Alignments. 317-331
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• Jérôme Gouzy, Florence Corpet, Daniel Kahn:
  Whole Genome Protein Domain Analysis using a New Method for Domain Clustering. 333-340
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• Jaap Heringa:
  Two Strategies for Sequence Comparison: Profile-preprocessed and Secondary Structure-induced Multiple Alignment. 341-364
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• William R. Taylor, Nigel P. Brown:
  Iterated Sequence Databank Search Methods. 365-385
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• Ye Ding, Charles E. Lawrence:
  A Bayesian Statistical Algorithm for RNA Secondary Structure Prediction. 387-400
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• Ivo L. Hofacker, Peter F. Stadler:
  Automatic Detection of Conserved Base Pairing Patterns in RNA Virus Genomes. 401-414
  Electronic Edition (link) BibTeX

Volume 23, Number 5, 1999

• Kin Y. Tam:
  BUFMAKE: A Computer Program to Calculate the Compositions of Buffers of Defined Buffer Capacity and Ionic Strength for Ultra-violet Spectrophotometry. 415-419
  Electronic Edition (link) BibTeX
• Kirk J. Ziegler, Leon Lasdon, Jerzy Chlistunoff, Keith P. Johnston:
  Optimization Models for Determining Nitric Acid Equilibria in Supercritical Water. 421-434
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• Aina Westrheim Ravna, Knut E. Schrøder, Øyvind Edvardsen:
  A World Wide Web-service to Aid the Development of AMBER Parameters using Analogy to Standard Parameters. 435-437
  Electronic Edition (link) BibTeX
• Tom E. Simos:
  Dissipative High Phase-lag Order Numerov-type Methods for the Numerical Solution of the Schrödinger Equation. 439-446
  Electronic Edition (link) BibTeX
• Shaoping Chu, Laurie A. McNair, Scott Elliott, Chung-Chieng A. Lai, Omar A. Hurricane, Richard P. Turco, Richard C. Dugdale:
  Ecodynamics and Dissolved Gas Chemistry Routines for Ocean Circulation Models. 447-467
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• Gilles Caporossi, Ivan Gutman, Pierre Hansen:
  Variable Neighborhood Search for Extremal Graphs: IV: Chemical Trees with Extremal Connectivity Index. 469-477
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• Petr Zamostny, Zdenek Belohlav:
  A Software for Regression Analysis of Kinetic Data. 479-485
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• Robert A. Marriott, Andrew W. Hakin, Jin Lian Liu, Mare R. Roussel:
  Automated Statistical Analysis of High Temperature and Pressure Vibrating Tube Densimeter Data. 487-492
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• Maria Carolina Monard, Alicia Batana, Jorge A. O. Bruno:
  Calculation of the Pressure Dependence of Anion Polarizabilities in Crystals. 493-501
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• P. C. Chen, S. C. Tzeng, F. M. Chang:
  Molecular Structures of Dinitroanilines and Trinitroanilines. 503-511
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Volume 23, Number 6, 1999

• Tom E. Simos, Paul Stefan Williams:
  On Finite Difference Methods for the Solution of the Schrödinger Equation. 513-554
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• Bin Zhou, J.-Y. Li, Ji-Hong Yu, Y.-H. Xu, W.-G. Xu, N. Shi, S.-L. Qiu, R.-R. Xu:
  Systematic Enumeration of Two-dimensional Layered Aluminophosphates with [Al3P4O16]3- Stoichiometry. 555-563
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• Nicolaas (Klaas) M. Faber:
  Modification of Malinowski's F-test for Pseudo Rank Estimation Revisited. 565-570
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• Andrey A. Dobrynin, Ivan Gutman:
  The Average Wiener Index of Hexagonal Chains. 571-576
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• Andy Cheok-man Chan, Samuel Chun-lap Lo, Foo-Tim Chau, Alexander Kai-man Leung:
  Application of Image Analysis Techniques to Two-dimensional Crossed Immunoelectrophoresis Study. 577-586
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• Ján Mikulás Lisý, Peter Simon, Sona Bafrncová, Elena Graczová:
  Least Squares Estimation of Parameters in Implicit Models. 587-595
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• Stéphane Noury, Xénophon Krokidis, Franck Fuster, Bernard Silvi:
  Computational Tools for the Electron Localization Function Topological Analysis. 597-604
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