Journal: Computers & Chemistry

Volume 12, Issue 4

285 -- 287J. P. Gastmans, V. E. De Paula, M. Furlan. Etude par microordinateur de l influence des atomes voisins sur les signaux RMN de 13C
289 -- 292Joseph Chrastil. Determination of the first order consecutive reaction rate constants from final product
293 -- 299Jaroslaw Kostrowicki, Adam Liwo, Krzysztof Sokolowski. A comparative study on some methods for computing equilibrium concentrations
301 -- 304F. T. Chau, K. D. Chan. A computer-based temperature measurement system
305 -- 315Concetta De Stefano, Pietro Princi, Carmelo Rigano, Silvio Sammartano. The calculation of equilibrium concentrations. Estime: A computer program for comparing execution times on different machines
317 -- 342H. S. Tan, P. Chiarot, W. E. Jones. Microcomputer-assisted temperature programmed desorption studies
343 -- 356S. Lago, C. Vega. A generalization for mixtures of a fast algorithm to calculate some intermolecular orientational averages
359 -- 0DeLos F. DeTar. The Visual Display of Quantitative Information.dta : by Edward R. Tufte, Graphics Press, P.O. Box 430, Cheshire, CT 06410, U.S.A., 1983, 190 pages plus index

Volume 12, Issue 3

207 -- 208Carl W. David. Vornoi polyhedra as structure probes in large molecular systems - VII. Channel identification
209 -- 211Iwao Fujita. Automatic analytical differentiation for nonlinear least-squares calculations
213 -- 217A. Muñoz de la Peña, J. A. Murillo, J. M. Vega, F. Baringo. Development of a low-cost interface for coupling a microcomputer with a fluorescence spectrophotometer. Computer-assisted fluorimetry
219 -- 227Peter Senn. The computation of the distance matrix and the Wiener index for graphs of arbitrary complexity with weighted vertices and edges
229 -- 231Carl W. David. Variational calculations on a correlated helium wave function using maple
237 -- 244Edna Wigderson, Amatzya Y. Meyer. Intramolecular voids and intermolecular channels
245 -- 251A. C. Norris, A. L. Oakley. Electronic publishing and chemical text processing - I. A survey of software for two-dimensional chemical structure editing
253 -- 255A. C. Norris, A. L. Oakley. Eletronic publishing and chemical text processing - II. Character and vector representations of chemical structures
257 -- 266J. M. Rodriguez Mellado, M. Blazquez, M. Dominguez. A curve-fitting program set for handling of differential pulse polarograms
267 -- 283T. Förster, B. Atzberger, Claus-Wilhelm von der Lieth. Contab - A program for connection table generation from linear input

Volume 12, Issue 2

85 -- 89Carlos F. Bunge, Gerardo Cisneros. Modular libraries and literate programming in software for ab initio atomic and molecular electronic structure calculations
91 -- 107Carlos F. Bunge, Annik Vivier Bunge, Gerardo Cisneros, Jean-Pierre Daudey. New algorithm and FORTRAN module to carry out the four-index transformation of atomic and molecular physics wholly in central memory
109 -- 140Carlos F. Bunge, Annik Vivier Bunge, Gerardo Cisneros, Jean-Pierre Daudey. V4ITD: A portable and efficient FORTRAN implementation of the 4IT algorithm using virtual memory and an external storage device
141 -- 164Gerardo Cisneros, Carlos F. Bunge, Annik Vivier Bunge, Jean-Pierre Daudey. E4ITD: A general FORTRAN implementation of the 4IT algorithm
165 -- 170D. Cabrol, J. P. Caire, P. Ozil. L utilisation du langage Prolog pour la decomposition des grands procedes chimiques
189 -- 206Heikki Joela. A microcomputer program for second-order simulation of EPR spectra

Volume 12, Issue 1

1 -- 14DeLos F. DeTar. Procedures for defining FSE standards
15 -- 20J. B. Drake, A. K. Hudson, E. Johnson, D. W. Noid, G. A. Pfeffer, S. Thompson. Molecular dynamics of a model polymer on a hypercube parallel computer
21 -- 25Mitsuo Murata. An efficient algorithm for comparing two protein sequences: Implementation for microcomputers
39 -- 41Marijan Mileti, Ivan Kobal, Teodor Mohar. Computerized tritium measurements with a liquid scintillation counter
43 -- 63Kurt Kalcher, Herbert Greschonig, Christian Jorde, Alfred Leitner. A program system for spectroelectrochemical measurements
65 -- 82Brian Clarke. A molecular graphics suite of programs for a microcomputer to display molecules from cambridge crystallographic data files and the alpha-carbon backbone of proteins from protein data bank crystal files
83 -- 0DeLos F. DeTar. Similarity and Clustering in Chemical Information Systems : By Peter Willett, (Research Studies Press Ltd), Letchworth, Hertfordshire, England, 1987. ISBN 0-471-91463-0, 0-86380-050-5, 254 pages plus index and contents