Journal: Computers & Chemistry

Volume 5, Issue 4

149 -- 150David Edelson. Computational techniques for the study of reaction processes : An overview
151 -- 158George D. Byrne. Software for differential systems and applications involving macroscopic kinetics
167 -- 180Herschel Rabitz. Chemical sensitivity analysis theory with applications to molecular dynamics and kinetics
181 -- 184Sally E. O Connor, Thomas A. Spraggins, Charles M. Grishman. Interfacing a microcomputer with the varian E-line series EPR spectrometer
185 -- 0DeLos F. DeTar. Computer for imagemaking : D. R. Clark (Ed.) Pergamon Press, Oxford, 1981, 152pp

Volume 5, Issue 2-3

73 -- 77Zoltán Kovács, István Mezey. Fortran Program to determine diffusion constants
79 -- 84Michael Ramek, Harald Paulson Fritzer. Symmetry adaptation in molecular ab-initio calculations - an alternative approach
85 -- 90Luisa Barino. Use of a least-squares best molecular fit routine in a steric comparison of flexible molecules
91 -- 100Zahari Zlatev, Kjeld Schaumburg, Jerzy Wasniewski. A testing scheme for subroutines solving large linear problems
101 -- 105Robert J. Fraatz, William H. Rahe, Fritz S. Allen. A digital simulation of phase sensitive detection
107 -- 110Bernhard Reiser. LCAO---SCF-calculations of the cluster (Nb::6::Br::12::)Cl::6:::::2:::- and (Nb::6::Br::6::Cl::6::)Br::6:::::2:::
111 -- 115Piercarlo Fantucci, Gianfranco Pacchioni, Stefano Polezzo, Jaime Fernández Rico. Computer generation of symmetry-adapted molecular orbitals
117 -- 123Jean-Jacques Villenave, Jean-Paul Bop, Claude Filliatre, Bernard Maillard. Etudes cinétiques, par analyse microcalorimétrique différentielle, de décompositions complexes d amorceurs radicalaires: Calcul des parametres
125 -- 138C. L. Dumoulin, G. C. Levy, F. A. L. Net. An FFT algorithm for virtually stored data
139 -- 146Walter W. Jones, Jay P. Boris. An Algorithm for multispecies diffusion fluxes

Volume 5, Issue 1

1 -- 7Bradley A. Roscoe, Philip K. Hopke. omparison of weighted and unweighted target transformation rotations in factor analysis
9 -- 18C. L. Dumoulin, G. C. Levy. Development of an interactive spectral analysis system. Application to NMR spectroscopy
19 -- 27Nelson L. Max, Deepak Malhorta, Anton J. Hopfinger. Computer graphics and the generation of DNA confirmations for intercalation studies
33 -- 39John F. Ogilvie, M. A. Abu-Elgheit. Statistical correlation of molecular structure with boiling points of N-heterocyclic compounds: Multiple linear regression analysis
41 -- 48Hans Dolhaine. A computer program for the enumeration of substitutional isomers
55 -- 66Angelo Tulumello, J. D. Tulumello. Yates' method analysis of 2n factorial design of experiments using the TI-59, for n = 3, 4, 5, 6
67 -- 69A. Grant Mauk, Robert A. Scott. A calculator program for determination of phosphate buffer composition
71 -- 0DeLos F. DeTar. A. Balfour and D. H. Marwick, FORTRAN 77, Heinemann Educational Books Ltd., 22 Bedford Square, London WCIB 3HH (1979)