Volume 13,
Number 1,
1989
- L. L. Miller, R. A. Jacobson:
A self-consistent semi-empirical absorption correction technique.
1-3
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- Zong Jie Liu, Roland van Rapenbusch:
A fast system for the best matching of two sets of atomic coordinates.
5-23
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- Pierre Dufour, Martine Dumont, Vincent Chabart, Jacques Lion:
Monte-Carlo simulation of surface reactions (revisited).
25-32
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- Marco S. Caceci:
A simple, performant diode array spectrophotometer.
33-38
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- Marius D'Amboise, Benoit Lagarde:
Factor analysis using column cross-validation.
39-44
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- Michael G. Martl, Klaus Hummel:
A simulation program for investigating substitution in polyalkenylenes coupled with double bond shifts.
45-52
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- Gy. Dömötör, M. I. Bán:
Dynamic level-shifting.
53-57
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- Marvin Bishop, Michael Csontos Jr.:
Polymer dynamics movies generated by program spacefil.
59-60
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- C. Wade Sheen, Randy W. Snyder:
An automated integration routine for FT-IR spectrometers.
61-67
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- A. C. J. Kuiper, R. E. F. Einerhand, W. Visscher:
Computer controlled testing of batteries.
69-73
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- Denis K. C. Leung, R. S. Tse:
Data acquisition with the IBM PC/XT/AT family - I. A medium speed system for the XT or AT.
75-88
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- S. Q. Lew, R. S. Tse:
Microcomputer automation of coulometric titration.
89-99
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- Yoshitaka Beppu:
New version of NAMOD (Nagoya Molecular Display) program.
101
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Volume 13,
Number 2,
1989
Volume 13,
Number 3,
1989
- Thomas M. Zamis, Lawrence J. Parkhurst, Gordon A. Gallup:
A matrix series method for the integration of rate equations in a reaction network. An alternative to Runge-Kutta methods.
165-171
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- Michael Albin, Harry B. Gray:
Multi-variant kinetic analyses on a microcomputer.
173-177
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- R. E. Hoffman, G. C. Levy:
Optimization of NMR data processing with coarse-grain parallel computers.
179-184
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- Peter C. Kahn:
Defining the axis of a helix.
185-189
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- Peter C. Kahn:
Simple methods for computing the least squares line in three dimensions.
191-195
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- J. M. Sevilla, M. Dominguez, F. Garcia-Blanco, M. Blazquez:
Resolution of absorption spectra.
197-200
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- Annik Vivier Bunge, Carlos F. Bunge, Rocio Jáuregui, Gerardo Cisneros:
Symmetry-eigenfunctions for many-electron atoms and molecules: A unified and friendly approach for frontier research and student training.
201-222
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- Rocio Jáuregui, Carlos F. Bunge, Annik Vivier Bunge, Gerardo Cisneros:
Angular momentum eigenfunctions for many-electron calculations.
223-238
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- Annik Vivier Bunge, Carlos F. Bunge, Rocio Jáuregui, Gerardo Cisneros:
Spin eigenfunctions for many-electron calculations.
239-254
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- Gerardo Cisneros, Rocio Jáuregui, Carlos F. Bunge, Annik Vivier Bunge:
Molecular symmetry eigenfunctions for many-electron calculations.
255-270
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- Carlos F. Bunge:
Schmidt orthonormalization of a basis expressible both as linear combinations and as projections of orthonormal primitive functions.
271-275
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- Carlos F. Bunge, Rocio Jáuregui, Gerardo Cisneros:
Writing friendly programs in modular form.
277-290
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- Kim H. Chow, Melvin B. Comisarow:
Magnitude-Lorentzian interpolation of discrete, absorption-mode Fourier transform spectra.
291-296
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- DeLos F. DeTar:
Computational Chemistry : By M. D. Johnston Jr, Elsevier, Amsterdam, 1988. ISBN 0-444-42962-X, 680 pp.
297
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- DeLos F. DeTar:
Expert Systems 85 : Edited by Martin Merry, Cambridge University Press, Cambridge, England, 1986. ISBN 0-521-32596-X, 334 pp., no index.
297
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- DeLos F. DeTar:
Numerical Recipes : By William H. Press, Brian P. Flannery, Saul A. Teukolsky and William T. Vetterling, Cambridge University Press, Cambridge, England, 1986.
297-298 BibTeX
- DeLos F. DeTar:
Computation of Solution Equilibria : By M. Melhoun, J. Havel and E. Högfeldt, Ellis Horwood, Chichester; Halsted Press, Wiley, New York, 1988. ISBN 0-7458-0201-X (Horwood), ISBN 0-470-20975-5 (Halsted), 292 pp. plus index and contents.
298
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Volume 13,
Number 4,
1989
- I. B. C. Matheson:
Robust estimation of parameters: A simple modification to all non-linear fitting algorithms to convert from minimizing the sum of squares of deviations to minimizing the sum of the absolute deviations.
299-304
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- Zdenk Slanina:
A program for determination of composition and thermodynamics of the ideal gas-phase equilibrium isomeric mixtures.
305-311
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- J. C. Sauniere, T. P. Lybrand, J. A. McCammon, L. D. Pyle:
Polarizable water models: Vectorization of energy calculations on the CYBER 205.
313-317
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- W. R. Creasy, J. T. Brenna:
Interface between a Nicolet FTMS/2000 and a quantel Nd: YAG laser using an IBM PC-AT.
319-324
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- V. Gadjokov, H. Mihailova:
KATCOM: A microcomputer program for the computation of stability constants from potentiometric titration data.
325-335
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- David C. Feller, Ernest F. Delmoe, S. Scott Zimmerman:
Conformational energy analysis of peptides using microcomputers: Description of PepCAD and analysis of N-formyl-N'-methylalanineamide.
337-341
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- Concetta De Stefano, Pietro Princi, Carmelo Rigano, Silvio Sammartano:
The calculation of equilibrium concentrations. ES4EC1: A FORTRAN program for computing distribution diagrams and titration curves.
343-359
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- Zdenk Slanina:
A procedure for the evaluation of the reduced moment of inertia for internal rotation.
361-366
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- Charles Brochu, Emilien Pelletier:
A microcomputer program for the analysis of gas chromatographic data.
367-383
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- I. B. C. Matheson:
The non-equivalence of Padé-Laplace and non-linear least squares data fitting: A Padé-Laplace bias towards slower processes.
385-386
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- François-Xavier Bon, Roland van Rapenbusch:
"CHOODRAW" - an interactive molecular graphics program (PC/XT/AT) to display small molecules complexed with protein fragments selected from the protein data bank.
387-394
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Copyright © Sat May 16 23:52:17 2009
by Michael Ley (ley@uni-trier.de)
