AB INITIO Molecular Orbital Theory


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AB INITIO Molecular Orbital Theory

ISBN: 9780471812418

出版社: Wiley-Interscience

出版年: 1986-03-10

页数: 576

定价: USD 245.00

装帧: Hardcover

内容简介


Describes and discusses the use of theoretical models as an alternative to experiment in making accurate predictions of chemical phenomena. Addresses the formulation of theoretical molecular orbital models starting from quantum mechanics, and compares them to experimental results. Draws on a series of models that have already received widespread application and are available for new applications. A new and powerful research tool for the practicing experimental chemist.