Books  Animal & General Biology  Biochemistry & Molecular Biology 

Ab Initio Molecular Orbital Theory

By: Warren J Hehre

548 pages, B/w plates, figs, tabs

John Wiley & Sons

Hardback | Apr 1986 | #88875 | ISBN: 0471812412
Availability: Usually dispatched within 5 days Details
NHBS Price: £227.00 $286/€270 approx

About this book

Describing and discussing the use of theoretical models as an alternative to experiments in making accurate predictions of chemical phenomena, this book addresses the formulation of theoretical molecular orbital models starting from quantum mechanics, and compares them to experimental results. It draws on a series of models that have already received widespread application and are available for new applications.


Contents

Theoretical Background. The Computational Problem. Selection of A Model. Practical Considerations: Input and Output. The Performance of the Model. Index.

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