Volume 1,
Number 1,
1976
- Stephen R. Lowry, John C. Marshall, Thomas L. Isenhour:
Progressive filter network: a general classification algorithm.
3-6
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- Anders Lindgård, R. Moss, Jørgen Oxenbøll:
A multiprogrammed process computer used as a Spectrometer for quasielastic light scattering.
7-12
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- Claude Leforestier, Olivier Kahn:
A computer program to determine the molecular point group and the symmetry adapted orbitals.
13-20
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- E. F. Crawford, R. D. Larsen:
Direct computation of the dyadic autocorrelation function.
21-22
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- R. D. Larsen, P. W. Smith, P. Voges:
Spline function representation of the radial distribution function Neal Carpenter: Syntax-directed translation of organic chemical formulas into their two-dimensional representation.
23-24
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- Neal Carpenter:
Syntax-directed translation of organic chemical formulas into their two-dimensional representation.
25-28
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- D. Edelson:
A simulation language and compiler to aid computer solution of chemical kinetic problems.
29-34
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- DeLos F. DeTar:
Evaluation of conformational energy populations of alkanes.
35-44
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- George S. Cembrowrki, David B. Cottrell, E. C. Toren Jr.:
POLAC, a problem oriented language for analytical chemistry .
45-54
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- James W. Cooper:
Computers in nmr-I: signal averaging in Fourier transform nmr.
55-60
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- Kenneth B. Wiberg:
Calorimetric data collection using computers.
61-64
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- Richard D. Breen, Henry N. Blount:
An inexpensive, high performance plotter interface for a laboratory-based minicomputer.
65-68
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Volume 1,
Number 2,
1977
- Jure Zupan, Dusan Hadzi, Matej Penca:
A new retrieval system for infrared spectra.
71-74
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- Milton D. Glick, Thomas J. Anderson, William A. Butler, Eugene R. Corey, Ronald J. Srodawa:
Interactive graphics for structural chemistry.
75-78
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- Raymond E. Carhart, Dennis H. Smith:
Applications of artificial intelligence for chemical inference-XX. "Intelligent" use of constraints in computer-assisted structure elucidation.
79-84
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- Henry F. Schaefer III, William H. Miller:
Large scale scientific computation via minicomputer.
85-90
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- Edward R. Rang:
PH-computations in terms of the hyperbolic functions.
91-92
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- Carl W. David:
On a double minimum vlbratlonal potential.
93-94
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- Paul S. Bagus, Ulf I. Wahlgren:
An algorithm for the construction of fully symmetry adapted Fock matrices for molecular Hattre+Fock calculations.
95-102
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- Malcolm Bersohn, Ashmed Esack:
A computer representation of synthetic organic reactions.
103-108
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- Daniel Rinaldi:
Versatile techniques for semigmpirlcal SCF-LCAO calculations including minimization of energy.
109-114
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- DeLos F. DeTar:
Data base for force fields and for molecular unit definitions.
115-120
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- James W. Cooper:
Computers in nmr-lll. Algorithm for continuously variable knob-controlled CRT display expansion.
121-124
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- Klára Össpay, Marlanne Farkas, Mlklós Vajda:
A procedure for making extended Hgckel calculations in limited memory.
125-128
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- DeLos F. DeTar:
Algorithms based on solid analytical geometry.
129-134
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- DeLos F. DeTar:
Utility subroutines.
135-136
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- Lee G. Pedersen, G. L. Carison:
Molecular fragment transfer in ab initio calculations.
137-138
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Volume 1,
Number 3,
1977
- DeLos F. DeTar:
Introduction to the symposium In print on molecular mechanics.
139-140
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- DeLos F. DeTar:
MOLMEC. a general approach to molecular mechanics computations.
141-144
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- G. L. Ritter, Thomas L. Isenhour:
Minimal spanning tree clustering of gas chromatographic liquid phases.
145-154
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- Moshe Gottlieb:
Application of computer simulation techniques to macromolecular theories.
155-160
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- Ken Knowiten, Lorinda L. Cherry:
ATOMS-a three-D opaque molecule system-for color pictures of space-filling or ball-and-stick models.
161-166
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- Carl W. David:
Direct integration on chemical kinetic rate equations.
167-172
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- Donald E. Williams, Thomas L. Starr:
Calculation of the crystal structures of hydrocarbons by molecular packing analysis.
173-178
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- Rlchard L. Hilderbrandt:
Application of Newton-Raphson optimization techniques in molecular mechanics calculations.
179-186
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- R. Potenzone Jr., Elizabeth Cavicchi, Herschel J. R. Weintraub, Anton J. Hopfinger:
Molecular mechanics and the CAMSECI processor.
187-194
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- Arieh Warshel:
The ClCFF/PI+ MGA program package efficiency and versatility in molecular mechanics.
195-202
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- D. H. Faber, Cornelis Altona:
UTAHB, a versatile programme package for the calculation of molecular properties by force field methods.
203-214
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- Giuseppe Filippini, Carlo Y. Gramaccioll, Massimo Simonetta, Giuseppe B. Suffritti:
Derivation of a quotient group in symmetry operations.
215-220
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- Kenneth B. Wiberg:
Intramolecular interactions in molecular mechanics calculations.
221-224
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- David N. J. White:
The principles and practice of molecular mechanics calculations.
225-234
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Volume 1,
Number 4,
1977
- Rudolph J. Marcus, Eugene E. Gloye, Edwin T. Florence:
Computer search of a free-text data base as a tool for investigating structure-effect relationships.
235-242
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- G. L. Ritter, Thomas L. Isenhour:
Feasibility of a ens-dimensional search system.
243-250
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- Fritz Allen, Edward Thomas:
An example of the utility of linear programming a8 a numerical technique.
251-256
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- John P. Maney, Jim L. Fasching, Philip K. Hopke:
A versatile end comprehensive analysis code for automated reduction of gamma-ray spectral data.
257-264
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- Geoffrey D. Edelson:
Computer aided chemical documentation-a text processor for chemical equations.
265-266
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- R. D. Larsen, W. R. Madych, E. F. Crawford:
Piecewise constant and piecewise linear expansions.
267-272
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- Stephen A. Spearmen, Mark J. Abramson, J. H. Goldstein:
Design considerations of a soft interface incorporating two techniques for transmitting digital data.
273-276
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- Anders Lindgård, P. Grass Sørensen:
, Jørgen Oxenbøll: Using e minicomputer to increase the available central processor time for a multiprogrammed computer system.
277-286
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- D. Thomas Terwillinger:
A core-based monitor system for the HP-2100 series computers.
287-290
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- P. Gans:
Visually interactive parameters' estimation and refinement, a technique for data-fitting.
291-294
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- Paul A. Dobosh:
EIGNGM: a matrix dlagonelization subroutine with minimUm storage requirements.
295-303
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Copyright © Sat May 16 23:52:18 2009
by Michael Ley (ley@uni-trier.de)