Molecular Orbital Calculations Using Chemical Graph Theory by Jerry R. DiasMolecular Orbital Calculations Using Chemical Graph Theory by Jerry R. Dias

Molecular Orbital Calculations Using Chemical Graph Theory

byJerry R. Dias

Paperback | May 19, 1993

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This book is directed toward senior undergraduate andbeginning graduate students as well as practicing chemists.It provides conceptual tools for understanding chemicalphenomena with HMO theory. The author demonstrates that onecan use graph theory to streamline HMO calculations withouttheaid of group theory or computer programs. The merging ofgraph theory and chemical theory is intuitive to chemists.Chemical graph theory provides simple descriptiveinterpretations of complicated quantum mechanicalcalculations. The author provides practical applications onnumerous MO energy levels (eigenvalues) and correspondingwave functions (eigenvectors).
Title:Molecular Orbital Calculations Using Chemical Graph TheoryFormat:PaperbackDimensions:126 pagesPublished:May 19, 1993Publisher:Springer Berlin HeidelbergLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:354056134X

ISBN - 13:9783540561347

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