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100   $a20061201d2007      uy             0
101 0 $aeng
200 10$aFrontier orbitals $ea practical manual /$fNguyen Trong Anh$b[electronic resource]
210   $aChichester, England ;$aHoboken, NJ $cJohn Wiley & Sons Ltd$dc2007
215   $a1 online resource (xiv, 287 p. )$cill. ;
311   $a0-471-97358-0 
320   $aIncludes bibliographical references and index.
327   $aCHAPTER 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
330 1 $a"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.
606   $aMolecular orbitals
606   $aPhysical organic chemistry
608   $aElectronic books
615  0$aMolecular orbitals.
615  0$aPhysical organic chemistry.
676   $a541/.224
700   $aNguyên$b Trong Anh$f1935-$0922098
801  0$bDLC
801  1$bDLC
801  2$bDLC
906   $aBOOK
912   $a9910144320903321
996   $aFrontier orbitals$92069212
997   $aUNINA
999   $aThis 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