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Philippe C. Hiberty is Director of Research at the Centre National de la Recherche Scientifique (CNRS) and a member of the Theoretical Chemistry Group in the Laboratoire de Chimie Physique at the?University of Paris-Sud. He taught quantum chemistry for years at the Ecole Polytechique in Palaiseau. He received the Grand Prix Philippe A. Guye from the French Academy of Sciences in 2002. Under the supervision of Professor Lionel Salem, he devoted his PhD to building a bridge between MO and VB theories by devising a method for mapping MO wave functions to VB ones. In collaboration with Professor Sason Shaik, he applied VB theory to fundamental concepts of organic chemistry such as aromaticity, hypervalence, odd-electron bonds, prediction of reaction barriers from properties of reactants and products, and so on. He is the originator of the Breathing-Orbital Valence Bond method, which is aimed at combining the lucidity of compact VB wave functions with a good accuracy of the energetics.
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Descrizione libro Gebunden. Condizione: New. Sason S. Shaik, PhD, is a Professor and the Director of the Lise Meitner-Minerva Center for Computational Quantum Chemistry in the Hebrew University in Jerusalem. He has been a Fulbright Fellow (1974-1979) and became a Fellow of the AAAS in 2005. Among his . Codice articolo 446911388
Descrizione libro Condizione: New. Intended for chemists who are not necessarily experts on theory, but have some background in quantum chemistry, The Chemist's Guide to Valence Bond Theory is designed to teach chemists how to use VB theory to think concisely and rigorously and how to use VB computations. Num Pages: 316 pages, Illustrations. BIC Classification: PNRP. Category: (P) Professional & Vocational. Dimension: 166 x 284 x 24. Weight in Grams: 656. . 2007. 1st Edition. Hardcover. . . . . Codice articolo V9780470037355