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Frontier orbitals : a practical manual

Author: Trong Anh Nguyên
Publisher: Chichester, England ; Hoboken, NJ : John Wiley & Sons, ©2007.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:
"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, the calculation of molecular orbitals, and the  Read more...
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Material Type: Internet resource
Document Type: Book, Internet Resource
All Authors / Contributors: Trong Anh Nguyên
ISBN: 9780471973584 0471973580 0471973599 9780471973591
OCLC Number: 77485807
Description: xiv, 287 pages : illustrations ; 26 cm
Contents: CHAPTER I. What can we do with Frontier Orbitals? --
CHAPTER II. Atomic and molecular orbitals --
CHAPTER III. The perturbation method --
CHAPTER IV. Absolute and relative reactivities --
CHAPTER V. Regioselectivity --
CHAPTER VI. Stereoselectivity --
CHAPTER VII. Some structural problems --
CHAPTER VIII. Going further.
Other Titles: Orbitales frontières.
Responsibility: Nguyên Trong Anh.
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Abstract:

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:  Read more...

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"A teacher in theoretical chemistry will find opportunities to improve his lectures..." (ChemPhysChem 2008, 6)

 
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   schema:reviewBody ""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, the 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 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. Written by one of the pioneers of the field, Frontier Orbitals is an essential practical guide to the successes and limitations of this theory."--Jacket." ;
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