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Journal: Computers & Chemistry

Volume 10, Issue 4

241 -- 251Robert Skarjune. Derivation and implementation of an efficient fast fourier transform algorithm (EFFT)
253 -- 257J.-M. Bernassau, F. Boissiere, J. F. Thomas. Density matrix calculations using formal language. I: Simulation of NMR pulse sequences
259 -- 268Annik Vivier Bunge, Carlos F. Bunge. HQRII1: An accurate, portable and fast diagonalization routine
269 -- 279Manuel Berrondo, Annik Vivier Bunge, Carlos F. Bunge. VHQRII: An accurate, modular and fast diagonalization routine for vector processors
281 -- 291Gerardo Cisneros, Manuel Berrondo, Carlos F. Bunge. DVDSON: A subroutine to evaluate selected sets of eigenvalues and eigenvectors of large symmetric matrices
293 -- 297Pankaj S. Dhar. A comparative study of different methods for the analysis of TGA curves
299 -- 306Claus-Wilhelm von der Lieth, Robert E. Carter, Daniel P. Dolata, Tommy Liljefors. Depth-cueing on monochrome raster scan terminals for small molecule modeling
309 -- 0Kjeld Rasmussen. Three-dimensional description of molecular normal vibrations

Volume 10, Issue 3

165 -- 173Steven L. Gallion, Ronald M. Levy, Paul K. Weiner, Fumio Hirata. Implementation of a macromolecular mechanics program on a cyber 205 supercomputer
175 -- 181K. P. Cross, C. G. Enke. A Spectral matching system for MS/MS data
187 -- 191Emilio Roldán, Manuel Dominguez, Domingo Gonzalez-Arjona. Programmable microcomputer-controlled ramp generator for use in electrochemical experiments
193 -- 199David N. J. White, J. Kelvin Tyler, Matthew R. Lindley. High performance microcomputer molecular modelling
201 -- 218Kurt Kalcher, Christian Jorde. Improved data processing for electroanalytical measurements
219 -- 221P. Senn. Computer graphics with lines of variable thickness
229 -- 237W. K. Winnett, C. P. Nash. Ewald s method for calculating lattice sums in ionic crystals
239 -- 240Hans Dolhaine, John S. Garavelli, Jack E. Leonard. Comments on papers concerning computer enumeration of permutation isomers

Volume 10, Issue 2

85 -- 96J. L. Ayme, Michel Arbelot, Michel Chanon. Computer analysis to produce univocal reactions sets: Possible application to the analysis of complex mixtures
97 -- 99Johan Åqvist. A simple way to calculate the axis of an -helix
101 -- 108Carlos F. Bunge, Gerardo Cisneros. Internal sort modules based on two-way merge algorithms
109 -- 133Carlos F. Bunge, Gerardo Cisneros. Sorting large lists of small items: A module for scientifically oriented applications
135 -- 151Carlos F. Bunge, Gerardo Cisneros. Bin sort module to order large lists of small items: A module for scientifically oriented applications
153 -- 161Carlos F. Bunge, Gerardo Cisneros. A modular package for efficient I/O operations
163 -- 164Philip K. Hopke, S. Dharmavaram. Recent improvements to fantasia, a target transformation factor analysis program

Volume 10, Issue 1

1 -- 2Christian 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
3 -- 8Kenneth R. Beerwinkle, Ross C. Beier, Bradford P. Mundy. Computer pattern recognition of 13C NMR data for classification of glycosides
9 -- 14Andy J. Morffew, S. J. P. Todd. The use of prolog as a protein querying language
15 -- 19Bruce E. Wilson, Jiin Wu Chai, Christine G. Enke. Ion trajectory modelling in time-dependent potential fields: Applicaion to RF-only quadrupoles
21 -- 26Piotr Paneth. Evaluation of normal frequencies for isotopic nonlinear X-Y-Z molecules by a programmable calculator
31 -- 39Hari Gunasingham, K. P. Ang, P. C. Thiak. Configuring a dual processor based microcomputer as an integrator for chromatophy applications
41 -- 46Harry G. Hecht. Construction of the crystal field hamiltonian for f-electrons according to the angular overlap model for an arbitrary distribution of ligands
47 -- 79James Kao, Loraine Watt. An interactive computer program to draw Newman projections
81 -- 0R. Voets, L. C. van Poucke, J.-P. François. Warning to the users of the "GEOMO" program system
83 -- 0DeLos 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.
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