Table of contents for Computer software applications in chemistry / Peter C. Jurs.


Bibliographic record and links to related information available from the Library of Congress catalog


Information from electronic data provided by the publisher. May be incomplete or contain other coding.


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Error, Statistics, and the Floating-Point Number System. Curve Fitting. Multiple Linear Regression Analysis. Numerical Integration. Numerical Solution of Differential Equations. Matrix Methods and Linear Equation Systems. Random Numbers and Monte Carlo Simulation. Simplex Optimization. Chemical Structure Information Handling. Mathematical Graph Theory. Substructure Searching. Molecular Mechanics and Molecular Dynamics. Pattern Recognition. Artificial Intelligence and Expert Systems. Spectroscopic Library Searching and Structure Elucidation. Graphical Display of Data. Graphical Display of Molecules. Index.


Library of Congress subject headings for this publication:
Chemistry -- Data processing.
FORTRAN (Computer program language)