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Titlebook: Overlap Determinant Method in the Theory of Pericyclic Reactions; Robert Ponec Book 1995 Springer-Verlag Berlin Heidelberg 1995 Chemical r

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书目名称Overlap Determinant Method in the Theory of Pericyclic Reactions
编辑Robert Ponec
视频video
丛书名称Lecture Notes in Chemistry
图书封面Titlebook: Overlap Determinant Method in the Theory of Pericyclic Reactions;  Robert Ponec Book 1995 Springer-Verlag Berlin Heidelberg 1995 Chemical r
描述The author summarizes the development and the applications of overlap determinant method in various fields of pericyclic reactivity. The greatest advantage of this new method lies in its remarkable simplicity and flexibility owing to which it opens an interesting possibility of the systematic investigation of important mechanistic problems of pericyclic reactivity which were so far beyond the scope of other existing techniques..
出版日期Book 1995
关键词Chemical reaction; Theoretische Chemie; Transition state; aromatic; classification; density; development; e
版次1
doihttps://doi.org/10.1007/978-3-642-46817-9
isbn_softcover978-3-540-59189-4
isbn_ebook978-3-642-46817-9Series ISSN 0342-4901 Series E-ISSN 2192-6603
issn_series 0342-4901
copyrightSpringer-Verlag Berlin Heidelberg 1995
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Theory of Frontier Orbitals,t of the maximal positive overlap between the highest occupied molecular orbital HOMO and the lowest unoccupied molecular orbital LUMO. The practical use of this simple rule can be again best demonstrated by concrete examples. The simplest situation is in the case of cycloadditions where the role of
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Overlap Determinant Method,e set of bonds µ. into the product characterized by the set of bonds µ. In classifying the character of the reaction, the key role is played by the mutual relation of corresponding sets. A similar situation is also encountered with the technique of correlation diagrams, where the question of the mut
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Least Motion Principle, reactivity a new dimension connected with the possibility to visualize and to quantify the extent of the changes of electron structure accompanying the chemical reactions. This circumstance has important consequences not only as a certain enrichment of the classical picture of chemical reaction in
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Mechanisms of Pericyclic Reactions,deed, the formalism of the method is so flexible and universal that it can be applied also to other problems considerably exceeding the scope of the applicability of Woodward- Hoffmann rules. One of the most important such applications concerns the possibility of the detailed insight into the mechan
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