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Algorithms for Chemical Computations

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Content: Graph algorithms in chemical computation / Robert Endre Tarjan --
Algorithm design in computational quantum chemistry / Ernest R. Davidson --
Rational selection of algorithms for molecular scattering calculations / Roy G. Gordon --
Molecular dynamics and transition state theory : the simulation of infrequent events / Charles H. Bennett --
Newer computing techniques for molecular structure studies by X-ray crystallography / David J. Duchamp --
Algorithms in the computer handling of chemical information / Louis J. O'Korn.

Author(s): Ralph E. Christoffersen (Eds.)
Series: ACS Symposium Series 46
Publisher: American Chemical Society
Year: 1977

Language: English
Pages: 157