02880oam 22003852a 450 991014432090332120170822141129.00-470-06570-2(CKB)1000000000376406(MH)010734168-9(EXLCZ)99100000000037640620061201d2007 uy 0engFrontier orbitals a practical manual /Nguyen Trong Anh[electronic resource]Chichester, England ;Hoboken, NJ John Wiley & Sons Ltdc20071 online resource (xiv, 287 p. )ill. ;0-471-97358-0 Includes bibliographical references and index.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"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.Molecular orbitalsPhysical organic chemistryElectronic booksMolecular orbitals.Physical organic chemistry.541/.224Nguyên Trong Anh1935-922098DLCDLCDLCBOOK9910144320903321Frontier orbitals2069212UNINAThis Record contains information from the Harvard Library Bibliographic Dataset, which is provided by the Harvard Library under its Bibliographic Dataset Use Terms and includes data made available by, among others the Library of Congress