Computer Software Applications in Chemistry
Published on 5. November 1986
Book
Hardback
270 pages
978-0-471-84735-9 (ISBN)
Description
This book on computer software applications in chemistry goes beyond hardware interfacing and computer lab use. It is organized by topic - general aspects of computers, solution of equations by numerical means, abstract (non-numerical) chemical-structure information handling and molecular mechanics, and graphical displays of data and molecular structures. Each topic is supplemented frequently by FORTRAN programs which illustrate the ways in which computer software is applicable to the chemical field.
More details
Language
English
Place of publication
New York
United States
Publishing group
John Wiley and Sons Ltd
Target group
College/higher education
Professional and scholarly
Illustrations
illustrations, bibliography, index
Dimensions
Height: 230 mm
Width: 150 mm
Weight
539 gr
ISBN-13
978-0-471-84735-9 (9780471847359)
Copyright in bibliographic data is held by Nielsen Book Services Limited or its licensors: all rights reserved.
Schweitzer Classification
Other editions
New editions
Peter C. Jurs
Computer Software Applications in Chemistry
Book
02/1996
2nd Edition
Wiley
€194.50
Shipment within 10-20 days
Content
Error, Statistics, and the Floating-point Number System; NUMERICAL METHODS; Curve Fitting; Multiple Linear Regression Analysis; Numerical Integration; Numerical Solution of Differential Equations; Matrix Methods and Systems of Linear Equations; Random Numbers and Monte Carlo Simulation; Simplex Optimization; NONNUMERICAL METHODS; Chemical Structure Information Handling; Mathematical Graph Theory; Substructure Searching; Molecular Mechanics; Pattern Recognition; Artificial Intelligence and Expert Systems; Spectroscopic Library Searching and Structure Elucidation; GRAPHICS; Graphical Display of Data; Graphical Display of Molecules; Index.