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ORCIDComputers & 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 - Jeffrey M. Friedman:
Interconversion Between 3D Molecular Representations: Some Macromolecular Applications of Spherical Harmonic-Bessel Expansions about an Arbitrary Center. 9-23 - 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 - Klaus Johannsen, Dieter Britz:
Matrix Stability of the Backward Differentiation Formula in Electrochemical Digital Simulation. 33-41 - Andrey A. Dobrynin
:
A Simple Formula for the Calculation of the Wiener Index of Hexagonal Chains. 43-48 - Mati Karelson, Anti Perkson:
QSPR Prediction of Densities of Organic Liquids. 49-59 - 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 - Boris V. Alekseev, Igor V. Kozhevnikov, Nikolai I. Koltsov:
The Research Computer Method of the Multiplicity of Steady States of Catalytic Reactions. 69-74 - Juan M. de la Figuera, V. Menendez:
Determination of Vibrational Energy Distribution in Excited Molecules From Experimental Data. New Program and Test. 75-84 - 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 - Jingke Zhu, Dezhao Chen, Pingdong Wu:
Exploration of Artificial Neural System for Simulation of the Halogen-exchange Fluorination Reaction. 97-100
Volume 23, Number 2, 1999
- Juan Daniel Mozo, Manuel María Domínguez, Emilio Roldán, José Miguel Rodríguez Mellado:
Automated Impedance Measurements in Electrochemical Cells. 101-107 - 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 - Jerzy Szczygiel:
Diffusion in a Bidispersive Grain of a Reforming Catalyst. 121-134 - Andrzej J. Goraczko, Jacek A. Szymura:
The Prediction of Relative Abundance of Isotopic Clusters in Mass Spectrometry of Coordination and Organometallic Compounds. 135-142 - Hongqing Cao, Jingxian Yu, Lishan Kang, Yuping Chen, Yongyan Chen:
The Kinetic Evolutionary Modeling of Complex Systems of Chemical Reactions. 143-152 - Robert Reams, Greg Chatham, William Kile Glunt, Daniel McDonald, Tom L. Hayden:
Determining Protein Structure using the Distance Geometry Program APA. 153-163 - Ramakrishna Ramaswamy, Srinivasan Ramachandran:
Gene Identification in Bacterial and Organellar Genomes using GeneScan. 165-174 - Fred Stevens, Thomas P. Beebe Jr.:
Computer Modeling of Graphite Oxidation: Differences Between Monolayer and Multilayer Etching. 175-183
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 - Yves Quentin, Catherine Voiblet, Francis Martin, Gwennaele Fichant:
Protein-coding Region Discovery in Organisms Under-represented in Databases. 209-217 - Laurence Vignal, Frédérique Lisacek, Joël Quinqueton, Yves D'Aubenton-Carafa, Claude Thermes:
A Multi-agent System Simulating Human Splice Site Recognition. 219-231 - Michael Q. Zhang:
Promoter Analysis of Co-regulated Genes in the Yeast Genome. 233-250 - 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 - Andrei E. Gabrielian, Alexander Bolshoy:
Sequence Complexity and DNA Curvature. 263-274 - Maxime Crochemore, Renaud Vérin:
Zones of Low Entropy in Genomic Sequences. 275-282 - Wentian Li:
Statistical Properties of Open Reading Frames in Complete Genome Sequences. 283-301 - Jean-Christophe Aude, Yolande Diaz-Lazcoz, Jean-Jacques Codani, Jean-Loup Risler:
Applications of the Pyramidal Clustering Method to Biological Objects. 303-315 - 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 - Jérôme Gouzy, Florence Corpet, Daniel Kahn:
Whole Genome Protein Domain Analysis using a New Method for Domain Clustering. 333-340 - Jaap Heringa:
Two Strategies for Sequence Comparison: Profile-preprocessed and Secondary Structure-induced Multiple Alignment. 341-364 - William R. Taylor, Nigel P. Brown:
Iterated Sequence Databank Search Methods. 365-385 - Ye Ding, Charles E. Lawrence:
A Bayesian Statistical Algorithm for RNA Secondary Structure Prediction. 387-400 - Ivo L. Hofacker, Peter F. Stadler:
Automatic Detection of Conserved Base Pairing Patterns in RNA Virus Genomes. 401-414
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 - Kirk J. Ziegler, Leon S. Lasdon, Jerzy Chlistunoff, Keith P. Johnston:
Optimization Models for Determining Nitric Acid Equilibria in Supercritical Water. 421-434 - 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 - Tom E. Simos:
Dissipative High Phase-lag Order Numerov-type Methods for the Numerical Solution of the Schrödinger Equation. 439-446 - 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 - Gilles Caporossi, Ivan Gutman, Pierre Hansen:
Variable Neighborhood Search for Extremal Graphs: IV: Chemical Trees with Extremal Connectivity Index. 469-477 - Petr Zamostny, Zdenek Belohlav:
A Software for Regression Analysis of Kinetic Data. 479-485 - Robert A. Marriott, Andrew W. Hakin, Jin Lian Liu, Marc R. Roussel:
Automated Statistical Analysis of High Temperature and Pressure Vibrating Tube Densimeter Data. 487-492 - Maria Carolina Monard, Alicia Batana, Jorge A. O. Bruno:
Calculation of the Pressure Dependence of Anion Polarizabilities in Crystals. 493-501 - P. C. Chen, S. C. Tzeng, F. M. Chang:
Molecular Structures of Dinitroanilines and Trinitroanilines. 503-511
Volume 23, Number 6, 1999
- Tom E. Simos, Paul Stefan Williams:
On Finite Difference Methods for the Solution of the Schrödinger Equation. 513-554 - Bin Zhou, Jiyang Li, Ji-Hong Yu, Yihua Xu, Wenguo Xu, N. Shi, Shilun Qiu, Ruren Xu:
Systematic Enumeration of Two-dimensional Layered Aluminophosphates with [Al3P4O16]3- Stoichiometry. 555-563 - Nicolaas (Klaas) M. Faber:
Modification of Malinowski's F-test for Pseudo Rank Estimation Revisited. 565-570 - Andrey A. Dobrynin, Ivan Gutman:
The Average Wiener Index of Hexagonal Chains. 571-576 - 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 - Ján Mikulás Lisý, Peter Simon, Sona Bafrncová, Elena Graczová:
Least Squares Estimation of Parameters in Implicit Models. 587-595 - Stéphane Noury, Xénophon Krokidis, Franck Fuster, Bernard Silvi:
Computational Tools for the Electron Localization Function Topological Analysis. 597-604
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