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" Ab Initio Valence Calculations in Chemistry "
D B Cook
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BL
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| Record Number
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729143
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b548897
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| Main Entry
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D B Cook
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| Title & Author
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Ab Initio Valence Calculations in Chemistry\ D B Cook
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| Publication Statement
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Burlington Elsevier Science, 2013
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| Page. NO
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(282 Seiten)
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| ISBN
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0408705515
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: 1483161218
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: 9780408705516
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: 9781483161211
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| Abstract
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Ab Initio Valence Calculations in Chemistry describes the theory and practice of ab initio valence calculations in chemistry and applies the ideas to a specific example, linear BeH2. Topics covered include the Schrödinger equation and the orbital approximation to atomic orbitals; molecular orbital and valence bond methods; practical molecular wave functions; and molecular integrals. Open shell systems, molecular symmetry, and localized descriptions of electronic structure are also discussed. This book is comprised of 13 chapters and begins by introducing the reader to the use of the Schrödinge ...
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| LC Classification
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QD462.D336 2013
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| Added Entry
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D B Cook
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