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Journal: Computers & Chemistry

Volume 9, Issue 4

259 -- 267Kimiko Mizutani, Masayuki Toyama, Katsuhiko Taguchi, Shiro Mastumoto. An application of computer animation in the study of dynamical aspects of nonadiabatic transitions in the Li-H2 system
269 -- 277Loraine Watt, James Kao. Chemical Draftsman (CDRAFT)
279 -- 284Micheline Grignon-Dubois, Michel Laguerre. Programme de simulation de spectres RMN 29Si Obtenus par inversion selective de population
289 -- 293J. R. Kingsley, R. L. Hilderbrandt. An algorithm for entering mathematical functions as input to a fortran program
295 -- 299Harry G. Hecht. Calculation of the crystal field hamiltonian for an arbitrary distribution of ligands
317 -- 323R. S. Tse. An inexpensive chromatographic data system for the apple II
325 -- 0DeLos F. DeTar. Pascal for FORTRAN programmers: By Robert Weiss and Charles Seiter, Addison-Wesley
325 -- 0DeLos F. DeTar. Computer education of chemists: Edited by Peter Lykos, John Wiley & Sons
325 -- 0DeLos F. DeTar. Logical and combinatorial algorithms for drug design: By V. E. Golender and A. B. Rozenblit, Research Studies Press Ltd. ISBN 0-471-90266-7, Letchworth, Hertfordshire, England 1983

Volume 9, Issue 3

165 -- 169Robert S. McDowell, David L. Grier, Andrew Streitwieser Jr.. Demarcation and integration of gridded data
171 -- 177J. Federici, W. P. Helman, G. L. Hug, C. Kane, L. K. Patterson. A work station for laboratory data acquisition: flourescence lifetime apparatus
179 -- 182Gy. Dömötör, M. I. Bán. Program for assigning molecular orbitals to irreducible representations of symmetry groups
185 -- 190Rafael Andreu, Juan A. Cejudo, Enrique Sánchez Marcos. IONPIT: A full implementation of Pitzer s ion interaction treatment
191 -- 194Kevin E. Gilbert, Joseph J. Gajewski. Numerical methods: An implementation of difsub on an ibm-pc
195 -- 201F. J. Bermejo, M. Rico, Tapani Ryhänen, E. Martìnez, J. Garcìa, J. Santoro. Moltw: A program for conformational studies using empirical functions - I. Description and general evaluation
237 -- 245B. Weiss-Lopez, W. H. Fink, C. P. Nash. Normal Coordinate Calculations on a Microcomputer ag

Volume 9, Issue 2

79 -- 83Edward C. Kirby. The characteristic polynomial: Evaluation as a function of X and as a function of the characteristic polynomials of a linear polyenes using a small com
85 -- 97David D. Clark, Sheldon M. Schuster. A small laboratory data system
99 -- 107T. N. Gallaher, Frank A. Palocsay, J. S. Phillips. A microcomputer/hall probe data acquisition system for a magnetic sector mass spectrometer
109 -- 113Akio Kuwae, Shigeki Obata, Kazuhiko Hanai. Three-dimensional description of molecular normal vibrations
115 -- 120F. J. Olivares del Valle, A. López Piñeiro, A. Requena. Calculation of the absolute infrared frequencies and intensities of a diatomic molecule or of local diatomic groups
121 -- 122P. Senn. The placement of the outer sphere in muffin : Tin X calculations
123 -- 132Zdenko A. Tomai. SHQRII: An improved, fast, portable diagonalization routine
133 -- 147John S. Garavelli, Jack E. Leonard. Improvements in the computer enumeration of permutation isomers
149 -- 154D. Jutras, W. I. Patterson, M. Perrier, C. Chavarie. Programmable calculator section Solving simultaneous ordinary first-order differential equations using a programmable calculator
155 -- 163Edward C. Kirby. A general method for finding principal resonance structures for conjugated systems by semi-random searching of an adjacency matrix

Volume 9, Issue 1

1 -- 6Michael L. Connolly, Arthur J. Olson. GRANNY, a companion to GRAMPS for the real-time manipulation of macromolecular models
7 -- 9J. Morales, J. L. Tirado. A procedure for the analysis of gas adsorption measurements
11 -- 17R. S. Tse. Microcomputer automation of the determination of activation energy
19 -- 22Foo-Tim Chau. An iterative method for Franck-Condon factor calculations with the use of the morse potential function to estimate equilibrium bond lengths of diatom
23 -- 25Joseph W. Hovanec, J. Richard Ward. Nonlinear least-squares fitting of first-order rate coefficients (comparison between the Gauss-Seidel method and Swain s KORE program)
27 -- 38Robin A. Gordon, Andreas Müller. An algorithm for determining possible empirical formulae of chemical compounds
39 -- 42P. Sevilla, S. Lago. A fast algorithm to calculate shortest distances between linear segments and angular averages for soft repulsive potentials depending on shortest dista
43 -- 52K. Balasubramanian. Computer-assisted enumeration of walks and self-returning walks on chemical graphs
53 -- 55J. G. Balz, R. A. Bernheim, L. P. Gold, T. Linn. Unlimited data acquisition at moderately high sampling frequencies with a microcomputer
57 -- 60Ross C. Beier. A calculator program for computing quantities of solvents required when changing percentages in solvent systems
77 -- 0DeLos F. DeTar. Interactive FORTRAN 77, a hands-on approach : Edited by I. D. Chivers and M. W. Clark, Ellis Horwood Limited
78 -- 0DeLos F. DeTar. Methods in computational molecular physics : Edited by G. H. F. Diercksen and S. Wilson, D. Reidel Publishing Company, Dordrecht, Holland, 1983
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