Computers & 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
  
• F. 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
  
• F. 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
  
• W. R. Browett, M. 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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