Modelling Molecular Structures
Published on 14. December 1995
Book
Paperback/Softback
XVI, 256 pages
978-0-471-95923-6 (ISBN)
Description
This up-to-date treatment of molecular modelling uses a large number of examples to discuss the methods currently in use. The text shows how computer modelling can be applied to molecules in DNA chains, molecules in polymers, single molecules in the gas phase, and interactions between molecules.
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New editions
Alan Hinchliffe
Modelling Molecular Structures
Book
07/2000
2nd Edition
Wiley
€119.00
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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. Hackel 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.