| 书目名称 | Quantum Theory of Chemical Reactions | | 副标题 | 1: Collision Theory, | | 编辑 | Raymond Daudel,Alberte Pullman,Alain Veillard | | 视频video | | | 丛书名称 | Quantum Theory Chemical Reactions | | 图书封面 |  | | 描述 | This treatise is devoted to an analysis of the present state of the quantum theory of chemical reactions. It will be divided into three volumes and will contain the contributions to an international seminar organized by the editors. The first one, is concerned with the fundamental problems which occur when studying a gas phase reaction or a reaction for which the solvent effect is not taken into account. The two first papers show how the collision theory can be used to predict the behaviour of interacting small molecules. For large molecules the complete calculations are not possible. We can only estimate the reaction path by calculating important areas of the potential surfaces. Four papers are concerned with this important pro cess. Furthermore, in one of these, the electronic reorganization which occurs along the reaction path is carefully analyzed. ~~o papers are devoted to the discussion of general rules as aromaticity rules, symmetry rules. The last two papers are concerned with the electrostatic molecular poten tial method which is the modern way of using static indices to establish relations between structure and chemical reactivity. Volume II will be devoted to a detaile | | 出版日期 | Book 1980 | | 关键词 | Atom; catalysis; chemical reaction; photochemistry; structure | | 版次 | 1 | | doi | https://doi.org/10.1007/978-94-009-9516-1 | | isbn_softcover | 978-94-009-9518-5 | | isbn_ebook | 978-94-009-9516-1 | | copyright | D. Reidel Publishing Company, Dordrecht, Holland 1980 |
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发表于 2025-3-21 18:33:52
