Frontier Orbitals : A Practical Manual

Nguyen Trong Anh

ISBN 10: 0471973599 / ISBN 13: 9780471973591

Published by Wiley Jun 2007, 2007

About this Item

Neuware - Many Chemical phenomena cannot be explained by classical physics and need quantum mechanics for a full understanding. However these calculations are complicated and their results are not always easily translated into chemical language. For most practical purposes chemists need simple 'Chemically transparent' methods which allow them to make qualitative general predictions. Frontier Orbitals introduces the most valuable of these methods, the frontier orbital approximation, and shows how it can be used for treating structural and reactivity problems in organic chemistry.Frontier Orbitals is a practical manual intended for tutorial classes or self-studies. Applications are classified by chemical criteria: competition between reagents (relative reactivity, including chemoselectivity), sites (regioselectivity) or reaction trajectories (stereoselectivity). The steps involved in solving each problem such as the choice of model, and calculation of molecular orbitals, and the interpretation of results, are explained. Numerous exercises are found throughout the text, and the full solutions and references are given in each case. An extensive listing of MOs 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 Orbital's is aimed at experimentalists who are w2ell 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 he intelligent use of the rules rather than their mathematical derivation. Written by one of the pioneers of the field, Frontier Orbital's is an essential practical guide to the successes and limitation s of this theory.

Seller Inventory # 9780471973591

Bibliographic Details

• Title: Frontier Orbitals : A Practical Manual
• Publisher: Wiley Jun 2007
• Publication Date: 2007
• Language: English
• ISBN 10: 0471973599
• ISBN 13: 9780471973591
• Binding: Taschenbuch
• Condition: Neu
• Dimensions: 246W x 189H x 22D millimeters 246 millimeters width by 189 millimeters height by 22 millimeters depth
• Weight: 679 grams

About this title

Synopsis

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.

About the Author

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.