Volume 9,
Number 1,
1985
- Michael L. Connolly, Arthur J. Olson:
GRANNY, a companion to GRAMPS for the real-time manipulation of macromolecular models.
1-6
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- J. Morales, J. L. Tirado:
A procedure for the analysis of gas adsorption measurements.
7-9
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- R. S. Tse:
Microcomputer automation of the determination of activation energy.
11-17
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- Foo-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.
19-22
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- Joseph 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).
23-25
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- Robin A. Gordon, Andreas Müller:
An algorithm for determining possible empirical formulae of chemical compounds.
27-38
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- P. Sevilla, S. Lago:
A fast algorithm to calculate shortest distances between linear segments and angular averages for soft repulsive potentials depending on shortest dista.
39-42
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- K. Balasubramanian:
Computer-assisted enumeration of walks and self-returning walks on chemical graphs.
43-52
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- J. G. Balz, R. A. Bernheim, L. P. Gold, T. Linn:
Unlimited data acquisition at moderately high sampling frequencies with a microcomputer.
53-55
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- Ross C. Beier:
A calculator program for computing quantities of solvents required when changing percentages in solvent systems.
57-60
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- Donald W. Boerth, Wen-Hsing Yang:
The electron projection function: Integrated electron densities from NDO-type wave functions.
61-76
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- DeLos F. DeTar:
Interactive FORTRAN 77, a hands-on approach : Edited by I. D. Chivers and M. W. Clark, Ellis Horwood Limited.
77
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- DeLos F. DeTar:
Methods in computational molecular physics : Edited by G. H. F. Diercksen and S. Wilson, D. Reidel Publishing Company, Dordrecht, Holland, 1983.
78
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Volume 9,
Number 2,
1985
- Edward 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.
79-83
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- David D. Clark, Sheldon M. Schuster:
A small laboratory data system.
85-97
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- T. N. Gallaher, F. A. Palocsay, J. S. Phillips:
A microcomputer/hall probe data acquisition system for a magnetic sector mass spectrometer.
99-107
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- Akio Kuwae, Shigeki Obata, Kazuhiko Hanai:
Three-dimensional description of molecular normal vibrations.
109-113
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- F. 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.
115-120
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- P. Senn:
The placement of the outer sphere in muffin : Tin X calculations.
121-122
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- Zdenko A. Tomai:
SHQRII: An improved, fast, portable diagonalization routine.
123-132
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- John S. Garavelli, Jack E. Leonard:
Improvements in the computer enumeration of permutation isomers.
133-147
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- D. Jutras, W. I. Patterson, M. Perrier, C. Chavarie:
Programmable calculator section Solving simultaneous ordinary first-order differential equations using a programmable calculator.
149-154
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- Edward C. Kirby:
A general method for finding principal resonance structures for conjugated systems by semi-random searching of an adjacency matrix.
155-163
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Volume 9,
Number 3,
1985
- Robert S. McDowell, David L. Grier, Andrew Streitwieser Jr.:
Demarcation and integration of gridded data.
165-169
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- J. Federici, W. P. Helman, G. L. Hug, C. Kane, L. K. Patterson:
A work station for laboratory data acquisition: flourescence lifetime apparatus.
171-177
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- Gy. Dömötör, M. I. Bán:
Program for assigning molecular orbitals to irreducible representations of symmetry groups.
179-182
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- E. KatzCarl W. David:
Assembling coordinates of individual helices into collagen-like aggregates.
183-184
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- Rafael Andreu, Juan A. Cejudo, Enrique Sánchez Marcos:
IONPIT: A full implementation of Pitzer's ion interaction treatment.
185-190
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- Kevin E. Gilbert, Joseph J. Gajewski:
Numerical methods: An implementation of difsub on an ibm-pc.
191-194
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- F. 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.
195-201
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- J. D. Bossaerts, G. L. Lemiére, F. C. Alderweireldt:
Determination of the first order reaction rate constant by weighted linear regression.
203-207
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- J. Eric Nordlander, Angus F. Bond IV, Morris Bader:
Atcoor: A program for calculation and utilization of molecular atomic doordinates from bond parameters.
209-235
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- B. Weiss-Lopez, W. H. Fink, C. P. Nash:
Normal Coordinate Calculations on a Microcomputer ag.
237-245
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Volume 9,
Number 4,
1985
- J. Ciosowski, A. M. Turek:
An Algorithm to generate the compact name of benzenoid hydrocarbons.
247-257
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- Kimiko 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.
259-267
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- Loraine Watt, James Kao:
Chemical Draftsman (CDRAFT).
269-277
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- Micheline Grignon-Dubois, Michel Laguerre:
Programme de simulation de spectres RMN 29Si Obtenus par inversion selective de population.
279-284
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- Yoshiyuki Hase:
Evaluation of one-center coulomb integrals involving s-functions by a programmable calculator.
285-287
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- J. R. Kingsley, R. L. Hilderbrandt:
An algorithm for entering mathematical functions as input to a fortran program.
289-293
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- Harry G. Hecht:
Calculation of the crystal field hamiltonian for an arbitrary distribution of ligands.
295-299
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- Roger Rowlett:
A low cost system for the graphical display of space-filling models of proteins.
301-315
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- R. S. Tse:
An inexpensive chromatographic data system for the apple II.
317-323
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- DeLos F. DeTar:
Pascal for FORTRAN programmers: By Robert Weiss and Charles Seiter, Addison-Wesley.
325
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- DeLos F. DeTar:
Computer education of chemists: Edited by Peter Lykos, John Wiley & Sons.
325
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- DeLos 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.
325
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Copyright © Sat May 16 23:52:18 2009
by Michael Ley (ley@uni-trier.de)
