Journal: Computers & Chemistry

Volume 11, Issue 4

231 -- 234Zdenk Slanina. An algorithm for evaluation of the exact partition function of free internal rotation, and other quantal systems having quadratically dependent energy levels
235 -- 240Marc A. Tischler, Edward A. Fox. An expert system for selecting liquid chromatographic separation methods
241 -- 250William R. Browett, Martin J. Stillman. Computer aided chemistry - III. Spectral envelope deconvolution based on a simplex optimization procedure
251 -- 271Roswitha T. Haas, Kevin C. O Kane. Typesetting chemical structure formulas with the text formatter TeX/LaTeX
281 -- 297Jon Louis Bentley, Lynn W. Jelinski, Brian W. Kernighan. Chem - a program for phototypesetting chemical structure diagrams
299 -- 300Masao Masamura. A simple algorithm for determining total electronic energy by the extended Hückel molecular orbital method
301 -- 303Marvin Bishop, Sharon Frinks, Annmarie M. Meier. Further modifications to program spacefil to produce three-dimensional color molecular graphics

Volume 11, Issue 3

153 -- 158A. Mendiboure, C. Delmas. Data processing system for the management of experiments on electrochemical generators
159 -- 162Dan Lerner, Philippe Pingand, Christian Federighi, Claude Maudelonde, Pascal Meriaux. An expert-system for the computer-assisted selection of bacterial strains for bioconversions
163 -- 178Jean 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
179 -- 183F. G. Lether, P. R. Wenston. An algorithm for the numerical evaluation of the reversible Randles-Sevcik function
185 -- 194Fernando J. Vega-Catalan. A nonlinear curve fitting program for functions with separable parameters
195 -- 210Jaroslaw Kostrowicki, Adam Liwo. A general method for the determination of the stoichiometry of unknown species in multicomponent systems from physicochemical measurements
211 -- 218Karen Wiechelman, Roberto Brunel. A microcomputer based system for the collection and processing of multidimensional fluorescence data
219 -- 221Paul Marshall. Method for analyzing exponential decays
223 -- 225J. Palm, A. P. Sundin. A faster SPACFIL
227 -- 0DeLos 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 -- 0DeLos 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, Englan
228 -- 0DeLos 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 -- 0DeLos 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
229 -- 0T. A. Cross. Software review

Volume 11, Issue 2

97 -- 108W. F. Tong, C. M. Y. Lee, C. P. Luk, F. Lam, R. S. Tse. Microcomputer-assisted surface area determination
109 -- 120F. Ugozzoli. ABSORB: A computer program for correcting observed structure factors from absorption effects in crystal structure analysis
125 -- 135Miguel A. Raso, José Tortajada, Daniel Escolar, Fernando Acción. A general fitting program for resolution of complex profiles

Volume 11, Issue 1

1 -- 5Romeu 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
7 -- 11L. 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
13 -- 18Tapani 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
19 -- 24Masaaki Uchida. MPEC2: A code for multi-phase chemical equilibria
25 -- 28M. Carlier, P. Devolder, J. F. Pauwels, L.-R. Sochet. A microcomputer-based data acquisition and analysis system. Application to EPR
29 -- 40Kenneth J. Kopecky, Milan Randic. Computer generation of generalized Wheland polynomials
41 -- 48J. Benz, J. Polster, R. Bär, G. Gauglitz. Program system SIDYS: Simulation and parameter identification of dynamic systems
49 -- 65Paul A. D. de Maine, Margaret M. de Maine. Automatic deductive systems - I. Chemical reaction models
67 -- 72Malcolm Bersohn. A matrix method for partitioning the atoms of a molecule into equivalence classes
73 -- 82William R. Browett, Martin J. Stillman. Computer-aided chemistry - II. A spectral database management program for use with microcomputers
83 -- 0DeLos 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