Modelling Molecular Structures
2nd Edition
Published on 24. April 1996
Software
Diskette
978-0-471-96491-9 (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
Edition
2nd ed.
Language
English
Place of publication
Chichester
United Kingdom
Publishing group
John Wiley and Sons Ltd
Target group
College/higher education
Weight
20 gr
ISBN-13
978-0-471-96491-9 (9780471964919)
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Schweitzer Classification
Content
Prerequisites; Molecular Mechanics; The Hydrogen Molecule Ion And Potential Energy Surfaces; The Hydrogen Molecule; The Electron Density; Self-Consistent Fields; Hnckel Theory; Differential Overlap Models; Atomic Orbital Choice; An Ab Initio Package - Gaussian 92; Electron Correlation; The X Model; Potential Energy Surfaces; Primary Properties; Induces Properties; Half A Dozen Applications.