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ORCIDComputers & Chemistry, Volume 11
Volume 11, Number 1, 1987
- Romeu C. Rocha-Filho
:
An algorithm to determine the electrical double-layer parameters for the simultaneous adsorption of two anions at the mercury electrode-solution interface. 1-5 - L. S. Cornish, Y. P. Ma, S. C. Chan, T. T. Wong, C. F. Ng, C. K. Chan:
Signal Averaging Computer System for Perkin-Elmer 577 Infrared Spectrophotometer. 7-11 - Tapani Ryhänen, F. J. Bermejo, J. Santoro, M. Rico:
MOLTW: A program for conformational studies using potential functions - II. Algorithms for molecular coordinates and topology manipulation. 13-18 - Masaaki Uchida:
MPEC2: A code for multi-phase chemical equilibria. 19-24 - M. Carlier, P. Devolder, J. F. Pauwels, L.-R. Sochet:
A microcomputer-based data acquisition and analysis system. Application to EPR. 25-28 - Kenneth J. Kopecky, Milan Randic:
Computer generation of generalized Wheland polynomials. 29-40 - J. Benz, J. Polster, R. Bär, G. Gauglitz:
Program system SIDYS: Simulation and parameter identification of dynamic systems. 41-48 - Paul A. D. de Maine, Margaret M. de Maine:
Automatic deductive systems - I. Chemical reaction models. 49-65 - Malcolm Bersohn:
A matrix method for partitioning the atoms of a molecule into equivalence classes. 67-72 - William R. Browett, Martin J. Stillman:
Computer-aided chemistry - II. A spectral database management program for use with microcomputers. 73-82 - DeLos F. DeTar:
Chemometrics: By Muhammad A. Sharaf, Deborah L. Illman and Bruce R. Kowalski, Wiley, New York, 1986, 326 pages plus index and contents, ISBN 0-471-83106-9. 83 - John C. Telotte:
Computer Aided Chemical Thermodynamics of Gases and Liquids : By Paul Benedek and Ferenc Olti, Wiley, Sussex, 1985, ISBN 0-471-87825-1. 83-84
Volume 11, Number 2, 1987
- G. M. Ostrovskii, A. G. Zyskin, Yu. S. Snagovskii:
A System for Automation of Kinetic Computations. 85-96 - W. F. Tong, C. M. Y. Lee, C. P. Luk, F. Lam, R. S. Tse:
Microcomputer-assisted surface area determination. 97-108 - Franco Ugozzoli:
ABSORB: A computer program for correcting observed structure factors from absorption effects in crystal structure analysis. 109-120 - Morris Bader:
A comparative study of new truncation error estimates and intrinsic accuracies of some higher order Runge-Kutta algorithms. 121-124 - Miguel A. Raso, José Tortajada, Daniel Escolar, Fernando Acción:
A general fitting program for resolution of complex profiles. 125-135 - Patrick L. Mills:
Numerical inversion of z-transforms with application to polymerization kinetics. 137-151
Volume 11, Number 3, 1987
- A. Mendiboure, C. Delmas:
Data processing system for the management of experiments on electrochemical generators. 153-158 - Dan Lerner, Philippe Pingand, Christian Federighi, Claude Maudelonde, Pascal Meriaux:
An expert-system for the computer-assisted selection of bacterial strains for bioconversions. 159-162 - Jean Aubard, Patrick Levoir, A. Denis, P. Claverie:
Direct analysis of chemical relaxation signals by a method based on the combination of Laplace transform and Padé approximants. 163-178 - Frank G. Lether, P. R. Wenston:
An algorithm for the numerical evaluation of the reversible Randles-Sevcik function. 179-183 - Fernando J. Vega-Catalan:
A nonlinear curve fitting program for functions with separable parameters. 185-194 - Jaroslaw Kostrowicki, Adam Liwo:
A general method for the determination of the stoichiometry of unknown species in multicomponent systems from physicochemical measurements. 195-210 - Karen Wiechelman, Roberto Brunel:
A microcomputer based system for the collection and processing of multidimensional fluorescence data. 211-218 - Paul Marshall:
Method for analyzing exponential decays. 219-221 - J. Palm, A. P. Sundin:
A faster SPACFIL. 223-225 - DeLos F. DeTar:
Modern Approaches to Chemical Reaction Searching, Proceedings of a Conference organized by the Chemical Structure Association of the University of York, England, 8-11 July 1985 : Edited by Peter Willett, Gower Publishing Company Limited, Aldershot, England, 1986. ISBN 0 566 03550 2; 262 pp. 227 - DeLos F. DeTar:
Computer Aids to Chemistry : Edited by G. Vernin and M. Chanon, Ellis Horwood, Chichester, 1986. ISBN 0-85312-774-3 (Ellis Horwood), ISBN 0-470-20338-2 (Halsted Press), 375 pages plus subject and author indexes. 227 - DeLos F. DeTar:
Computer-Assisted Structure Elucidation : By Neil A. B. Gray, Wiley, New York, 1986. ISBN 0-471-89824-4, 501 pages plus index and classified general bibliography. 228 - DeLos F. DeTar:
Computer-Supported Spectroscopic Databases : Edited by J. Zupan, Ellis Horwood, Chichester, 1986. ISBN 0-85312-941-X (Ellis Horwood), ISBN 0-470-20730-2 (Wiley), 161 pages plus index. 228 - T. A. Cross:
Software review. 229
Volume 11, Number 4, 1987
- Zdenk Slanina:
An algorithm for evaluation of the exact partition function of free internal rotation, and other quantal systems having quadratically dependent energy levels. 231-234 - Marc A. Tischler, Edward A. Fox:
An expert system for selecting liquid chromatographic separation methods. 235-240 - William R. Browett, Martin J. Stillman:
Computer aided chemistry - III. Spectral envelope deconvolution based on a simplex optimization procedure. 241-250 - Roswitha T. Haas, Kevin C. O'Kane:
Typesetting chemical structure formulas with the text formatter TeX/LaTeX. 251-271 - F. J. Weigert:
A gear iterator. 273-280 - Jon Louis Bentley, Lynn W. Jelinski, Brian W. Kernighan:
Chem - a program for phototypesetting chemical structure diagrams. 281-297 - Masao Masamura:
A simple algorithm for determining total electronic energy by the extended Hückel molecular orbital method. 299-300 - Marvin Bishop, Sharon Frinks, Annmarie M. Meier:
Further modifications to program spacefil to produce three-dimensional color molecular graphics. 301-303 - Edwin F. Hilinski:
Mathematical and computational concepts in chemistry : Edited by Nenad Trinajsti, Ellis Horwood, Chichester, 1986. ISBN 0-85312-934-7, 365 pages plus index. 305-306
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