Frontier Orbitals
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Описание:
Many Chemical phenomena cannot be explained by classical physics and need quantum mechanics for a full understanding. However these calculations are complicated and their results are not always easily translated into chemical language. For most practical purposes chemists need simple "Chemically transparent" methods which allow them to make qualitative general predictions. Frontier Orbitals introduces the most valuable of these methods, the frontier orbital approximation, and shows how it can be used for treating structural and reactivity problems in organic chemistry. 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, and calculationof molecular orbitals, and the...Похожие книги
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