Frontier Orbitals: A Practical Manual by Nguyen Trong Anh
English | June 11, 2007 | ISBN: 0471973580 | 304 Pages | PDF | 8 MB
English | June 11, 2007 | ISBN: 0471973580 | 304 Pages | PDF | 8 MB
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.