Volume 10, Number 1, 1986
- Christian Opitz:
The choice of initial vectors for the calculation of the eigenvectors of multiple eigenvalues of a symmetric tri-diagonal matrix by Wielandt's iteratio.
1-2
- Kenneth R. Beerwinkle, Ross C. Beier, Bradford P. Mundy:
Computer pattern recognition of 13C NMR data for classification of glycosides.
3-8
- Andy J. Morffew, S. J. P. Todd:
The use of prolog as a protein querying language.
9-14
- Bruce E. Wilson, Jiin Wu Chai, Christine G. Enke:
Ion trajectory modelling in time-dependent potential fields: Applicaion to RF-only quadrupoles.
15-19
- Piotr Paneth:
Evaluation of normal frequencies for isotopic nonlinear X-Y-Z molecules by a programmable calculator.
21-26
- J. B. Parra Soto, C. Otero Arean:
Computer program for determining the porous texture of solids using a modified broekhoff-de boer method.
27-30
- Hari Gunasingham, K. P. Ang, P. C. Thiak:
Configuring a dual processor based microcomputer as an integrator for chromatophy applications.
31-39
- Harry G. Hecht:
Construction of the crystal field hamiltonian for f-electrons according to the angular overlap model for an arbitrary distribution of ligands.
41-46
- James Kao, Loraine Watt:
An interactive computer program to draw Newman projections.
47-79
- R. Voets, L. C. van Poucke, J.-P. François:
Warning to the users of the "GEOMO" program system.
81
- DeLos F. DeTar:
Microcomputers in the process industry : E.R. Robinson, Ellis Horwood Limited, Chichester, 1985. ISBN 0 85312-723-9. Distributed by John Wiley & Sons, Halsted Press, New York, in the U.S.A..
83
Volume 10, Number 2, 1986
Volume 10, Number 3, 1986
- Steven L. Gallion, Ronald M. Levy, Paul K. Weiner, Fumio Hirata:
Implementation of a macromolecular mechanics program on a cyber 205 supercomputer.
165-173
- K. P. Cross, C. G. Enke:
A Spectral matching system for MS/MS data.
175-181
- Thomas Brittain:
Microcomputer based programs for the analysis and simulation of presteady state kinetics.
183-185
- Emilio Roldán, Manuel Dominguez, Domingo Gonzalez-Arjona:
Programmable microcomputer-controlled ramp generator for use in electrochemical experiments.
187-191
- David N. J. White, J. Kelvin Tyler, Matthew R. Lindley:
High performance microcomputer molecular modelling.
193-199
- Kurt Kalcher, Christian Jorde:
Improved data processing for electroanalytical measurements.
201-218
- P. Senn:
Computer graphics with lines of variable thickness.
219-221
- Richard A. Newmark:
Calculation of NMR spectra of substituted benzenes using a microcomputer.
223-228
- W. K. Winnett, C. P. Nash:
Ewald's method for calculating lattice sums in ionic crystals.
229-237
- Hans Dolhaine, John S. Garavelli, Jack E. Leonard:
Comments on papers concerning computer enumeration of permutation isomers.
239-240
Volume 10, Number 4, 1986
- Robert Skarjune:
Derivation and implementation of an efficient fast fourier transform algorithm (EFFT).
241-251
- J.-M. Bernassau, F. Boissiere, J. F. Thomas:
Density matrix calculations using formal language. I: Simulation of NMR pulse sequences.
253-257
- Annik Vivier Bunge, Carlos F. Bunge:
HQRII1: An accurate, portable and fast diagonalization routine.
259-268
- Manuel Berrondo, Annik Vivier Bunge, Carlos F. Bunge:
VHQRII: An accurate, modular and fast diagonalization routine for vector processors.
269-279
- Gerardo Cisneros, Manuel Berrondo, Carlos F. Bunge:
DVDSON: A subroutine to evaluate selected sets of eigenvalues and eigenvectors of large symmetric matrices.
281-291
- Pankaj S. Dhar:
A comparative study of different methods for the analysis of TGA curves.
293-297
- Claus-Wilhelm von der Lieth, Robert E. Carter, Daniel P. Dolata, Tommy Liljefors:
Depth-cueing on monochrome raster scan terminals for small molecule modeling.
299-306
- Antoni K. Wisor:
Comment on HQRII A fast diagonalization subroutine.
307
- Kjeld Rasmussen:
Three-dimensional description of molecular normal vibrations.
309
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