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[电子能谱与分子的电子结构]

[Electron spectroscopy and the electron structure of molecules].

作者信息

Morozov Iu V, Savin F A

出版信息

Mol Biol (Mosk). 1985 Jan-Feb;19(1):132-43.

PMID:3982406
Abstract

The experimental-theoretical approach to the study of physico-chemical, in particular, spectroscopic and photochemical properties of groups of related molecules is considered. The problem of physically correct spectral decompositions of complex electronic spectra into bands corresponding to separate electronic transitions and of the information obtained therefrom is discussed. Concrete examples of revealing photo- and enzymatic reaction mechanisms by combined spectroscopic and theoretical studies of molecular electronic structure and spectra are given. Special attention is paid to the connection of electronic structure of molecules with their physico-chemical, in particular, spectroscopic properties.

摘要

本文考虑了用于研究相关分子基团的物理化学性质,特别是光谱和光化学性质的实验 - 理论方法。讨论了将复杂电子光谱进行物理上正确的光谱分解,使其成为对应于单独电子跃迁的谱带以及由此获得的信息的问题。给出了通过对分子电子结构和光谱进行光谱学与理论相结合的研究来揭示光反应和酶促反应机制的具体实例。特别关注了分子的电子结构与其物理化学性质,特别是光谱性质之间的联系。

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