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A chemist's guide to valence bond theory

Author: Sason S Shaik; Philippe C Hiberty
Publisher: Hoboken, N.J. : Wiley-Interscience, ©2008.
Edition/Format:   Print book : EnglishView all editions and formats
Database:WorldCat
Summary:
Intended for chemists who are not necessarily experts on theory, but have some background in quantum chemistry, The Chemist's Guide to Valence Bond Theory is designed to teach chemists how to use VB theory to think concisely and rigorously and how to use VB computations.
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Material Type: Internet resource
Document Type: Book, Internet Resource
All Authors / Contributors: Sason S Shaik; Philippe C Hiberty
ISBN: 9780470037355 0470037350
OCLC Number: 173809040
Description: xiv, 316 pages : illustrations ; 25 cm
Contents: 1. Brief story of valence bond theory, its rivalry with molecular orbital theory, its demise, and resurgence --
2. Brief tour through some valence bond outputs and terminology --3. Basic valence bond theory --4. Mapping molecular orbital --
Configuration interaction to valence bond wave functions --5. Are the "failures" of valence bond theory real? --
6. Valence bond fiagrams for chemical reactivity --7. Using valence bond theory to compute and conceptualize excited states --8. Spin Hamiltonian valence bond theory and its applications to organic radicals, diradicals, and polyradicals --9. Currently available ab initio valence bond computational methods and their principles --10. Do your own valence bond calculations --
A practical guide.
Responsibility: Sason Shaik, Philippe C. Hiberty.
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Abstract:

Intended for chemists who are not necessarily experts on theory, but have some background in quantum chemistry, The Chemist's Guide to Valence Bond Theory is designed to teach chemists how to use VB  Read more...

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"The textbook provides a qualitative overview of the possibilities within the VB approach. As such, we strongly recommend it, both to interested chemists and to university libraries." (Angewandte Read more...

 
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