Computers & Chemistry, Volume 5
Volume 5, Number 1, 1981
Bradley A. Roscoe, Philip K. Hopke: omparison of weighted and unweighted target transformation rotations in factor analysis. 1-7- C. L. Dumoulin, G. C. Levy: Development of an interactive spectral analysis system. Application to NMR spectroscopy. 9-18
- Nelson L. Max, Deepak Malhorta, Anton J. Hopfinger: Computer graphics and the generation of DNA confirmations for intercalation studies. 19-27
- Jon E. Weinzierl: The use of linear programming in curve fitting. 29-32
- John F. Ogilvie, M. A. Abu-Elgheit: Statistical correlation of molecular structure with boiling points of N-heterocyclic compounds: Multiple linear regression analysis. 33-39
- Hans Dolhaine: A computer program for the enumeration of substitutional isomers. 41-48
- David C. Foyt: A minicomputer-based system for process control, data acquisition, and data analysis in a diverse fast kinetics facility. 49-54
- Angelo Tulumello, J. D. Tulumello: Yates' method analysis of 2n factorial design of experiments using the TI-59, for n = 3, 4, 5, 6. 55-66
- A. Grant Mauk, Robert A. Scott: A calculator program for determination of phosphate buffer composition. 67-69
- DeLos F. DeTar: A. Balfour and D. H. Marwick, FORTRAN 77, Heinemann Educational Books Ltd., 22 Bedford Square, London WCIB 3HH (1979). 71
Volume 5, Number 2-3, 1981
- Michael Ramek, Harald Paulson Fritzer: Symmetry adaptation in molecular ab-initio calculations - an alternative approach. 79-84
- Luisa Barino: Use of a least-squares best molecular fit routine in a steric comparison of flexible molecules. 85-90
- Zahari Zlatev, Kjeld Schaumburg, Jerzy Wasniewski: A testing scheme for subroutines solving large linear problems. 91-100
- Robert J. Fraatz, William H. Rahe, Fritz S. Allen: A digital simulation of phase sensitive detection. 101-105
- Bernhard Reiser: LCAO---SCF-calculations of the cluster (Nb6Br12)Cl62- and (Nb6Br6Cl6)Br62. 107-110
- Piercarlo Fantucci, Gianfranco Pacchioni, Stefano Polezzo, Jaime Fernández Rico: Computer generation of symmetry-adapted molecular orbitals. 111-115
- Jean-Jacques Villenave, Jean-Paul Bop, Claude Filliatre, Bernard Maillard: Etudes cinétiques, par analyse microcalorimétrique différentielle, de décompositions complexes d'amorceurs radicalaires: Calcul des parametres. 117-123
Volume 5, Number 4, 1981
- David Edelson: Computational techniques for the study of reaction processes : An overview. 149-150
- George D. Byrne: Software for differential systems and applications involving macroscopic kinetics. 151-158
- John C. Tully: Computer simulation of the dynamics of chemical processes. 159-165
- Herschel Rabitz: Chemical sensitivity analysis theory with applications to molecular dynamics and kinetics. 167-180
- Sally E. O'Connor, Thomas A. Spraggins, Charles M. Grishman: Interfacing a microcomputer with the varian E-line series EPR spectrometer. 181-184
- DeLos F. DeTar: Computer for imagemaking : D. R. Clark (Ed.) Pergamon Press, Oxford, 1981, 152pp. 185
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