Frontier Orbitals: A Practical Manual

Anh Nguyen Trong Nguyen Anh

ISBN 10: 0471973599 / ISBN 13: 9780471973591

Editore: John Wiley & Sons, 2007

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pp. 304.

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Dati bibliografici

• Titolo: Frontier Orbitals: A Practical Manual
• Editore: John Wiley & Sons
• Data di pubblicazione: 2007
• Lingua: Inglese
• ISBN 10: 0471973599
• ISBN 13: 9780471973591
• Rilegatura: Brossura
• Condizione: New

Descrizione articolo

Riassunto

Written by one of the pioneers of the field, Frontier Orbitals is an essential practical guide to the successes and limitations of this theory. Applications are classified by chemical criteria: competition between reagents, sites or reaction trajectories. The steps involved in solving each problem, such as the choice of model, the calculation of molecular orbitals, and the interpretation of results, are explained. Numerous exercises are found throughout the text, and the full solution and references are given in each case. An extensive listing of MO's is also given to allow those without access to a computer to work out the exercises. Practical advice is given for those wishing to do their own calculations.

Frontier Orbitals is aimed at experimentalists who are well versed in organic chemistry but have little or no understanding of quantum mechanics. A greater emphasis is put on chemistry than on quantum mechanics, and the intelligent use of the rules rather than their mathematical derivation.

Informazioni sull?autore

Nguyen Trong Anh is a former professor at the Ecole Polytechnique and Directeur de Recherche au Centre National de la Recherche Scientifique. He is the author of four books including Frontier Orbitals published by John Wiley and Sons in 2007.