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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. Comput. Chem. 9 (2 ) : 155-163 (1985 )share record
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Akio Kuwae , Shigeki Obata , Kazuhiko Hanai : Three-dimensional description of molecular normal vibrations. Comput. Chem. 9 (2 ) : 109-113 (1985 )export record
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journals/candc/McDowellGJ85 share record
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Robert S. McDowell , David L. Grier , Andrew Streitwieser Jr. : Demarcation and integration of gridded data. Comput. Chem. 9 (3 ) : 165-169 (1985 )export record
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journals/candc/MizutaniTTM85 share record
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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. Comput. Chem. 9 (4 ) : 259-267 (1985 )export record
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journals/candc/MoralesT85 share record
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J. Morales , José L. Tirado : A procedure for the analysis of gas adsorption measurements. Comput. Chem. 9 (1 ) : 7-9 (1985 )export record
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journals/candc/NordlanderBB85 share record
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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. Comput. Chem. 9 (3 ) : 209-235 (1985 )share record
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Roger Rowlett : A low cost system for the graphical display of space-filling models of proteins. Comput. Chem. 9 (4 ) : 301-315 (1985 )share record
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P. Senn : The placement of the outer sphere in muffin : Tin X calculations. Comput. Chem. 9 (2 ) : 121-122 (1985 )export record
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journals/candc/SevillaL85 share record
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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. Comput. Chem. 9 (1 ) : 39-42 (1985 )share record
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Zdenko A. Tomai : SHQRII: An improved, fast, portable diagonalization routine. Comput. Chem. 9 (2 ) : 123-132 (1985 )share record
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R. S. Tse : Microcomputer automation of the determination of activation energy. Comput. Chem. 9 (1 ) : 11-17 (1985 )share record
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R. S. Tse : An inexpensive chromatographic data system for the apple II. Comput. Chem. 9 (4 ) : 317-323 (1985 )share record
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F. J. Olivares del Valle , A. López Piñeiro , Alberto Requena : Calculation of the absolute infrared frequencies and intensities of a diatomic molecule or of local diatomic groups. Comput. Chem. 9 (2 ) : 115-120 (1985 )export record
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journals/candc/Weiss-LopezFN85 share record
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B. Weiss-Lopez , W. H. Fink , C. P. Nash : Normal Coordinate Calculations on a Microcomputer ag. Comput. Chem. 9 (3 ) : 237-245 (1985 )share record
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Donald W. Boerth , Wen-Hsing Yang : The electron projection function: Integrated electron densities from NDO-type wave functions. Comput. Chem. 9 (1 ) : 61-76 (1985 )