Modelling Molecular Structures
Published on 14. December 1995
Book
Hardback
272 pages
978-0-471-95921-2 (ISBN)
Description
Molecular modelling has come a long way since the days of plastic atoms, mechanical springs and green tubing. This study guides the reader through the maze of computer modelling. It provides an up-to-date treatment of the subject, discussing molecular mechanics, empirical, semi-empirical and Ab Initio methods. Numerous worked examples and illustrations are included.
More details
Series
Language
English
Place of publication
Chichester
United Kingdom
Publishing group
John Wiley and Sons Ltd
Target group
College/higher education
Illustrations
line drawings
Dimensions
Height: 252 mm
Width: 194 mm
Weight
740 gr
ISBN-13
978-0-471-95921-2 (9780471959212)
Copyright in bibliographic data is held by Nielsen Book Services Limited or its licensors: all rights reserved.
Schweitzer Classification
Other editions
New editions
Alan Hinchliffe
Modelling Molecular Structures
Book
07/2000
2nd Edition
Wiley
€195.00
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Content
Prerequisites. Molecular Mechanics. The Hydrogen Molecule-Ion and Potential Energy Surfaces. The Hydrogen Molecule. The Electron Density. Self Consistent Fields. H?ckel Theory. Differential Overlap Models. Atomic Orbital Choice. An Ab Initio Package - Gaussian92. Electron Correlation. The Xalpha Model. Potential Energy Surfaces. Primary Properties. Induced Properties. Half a Dozen Applications. References. Index.