Ab Initio Molecular Orbital Theory

Author: Warren J. Hehre
Publisher: Wiley-Interscience
Size: 66.16 MB
Format: PDF, Kindle
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Describes and discusses the use of theoretical models as an alternative to experiment in making accurate predictions of chemical phenomena.

Computational Chemistry Using The Pc

Author: Donald W. Rogers
Publisher: John Wiley & Sons
ISBN: 9780471474913
Size: 19.97 MB
Format: PDF
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Computational Chemistry Using the PC, Third Edition takes the reader from a basic mathematical foundation to beginning research-level calculations, avoiding expensive or elaborate software in favor of PC applications.

Computational Chemistry

Author: Errol G. Lewars
Publisher: Springer Science & Business Media
ISBN: 9048138604
Size: 71.83 MB
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(f) Leach AR (2001) Molecular modelling, 2nd edn. Prentice Hall, Essex, England
. (g) A useful reference is still: Hehre WJ, Radom L, Schleyer PvR, Pople JA (
1986) Ab initio molecular orbital theory. Wiley, New York. (h) An evaluation of the
state and future of quantum chemical calculations, with the emphasis on ab initio
methods: Head-Gordon M (1996) J Phys Chem 100:13213. (i) Jensen F (2007)
Introduction to computational chemistry, 2nd edn. Wiley, Hoboken, NJ. (j) Dewar
MJS ...