Ab Initio Molecular Orbital Theory

Author: Warren J. Hehre
Publisher: Wiley-Interscience
ISBN:
Size: 70.90 MB
Format: PDF, ePub
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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: 46.38 MB
Format: PDF, Kindle
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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.

Quantum Chemistry

Author: Henry F. Schaefer III
Publisher: Courier Corporation
ISBN: 0486151417
Size: 20.35 MB
Format: PDF, Kindle
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For each of 150 landmark papers in ab initio molecular electronic structure methods, the author provides a lucid commentary that focuses on methodology, rather than particular chemical problems. 1984 edition.