All Electron Bonded Tableau Approach to π Conjugated Systems

All Electron Bonded Tableau Approach to π Conjugated Systems

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摘要 1 Introduction Classical valence bond (VB) theory has made great success in the qualitative explanation of π conjugated systems. Nevertheless, modern VB theory is trying to make quantitative calculation to molecular structures. As one of the VB methods, the bonded tableau unitary group approach (BTUGA), which adopts the bonded tableaus as the VB-type many-

作者莫亦荣吴玮李加波张乾二

机构地区 Department of Chemistry Xiamen University

出处《Chinese Science Bulletin》 SCIE EI CAS 1993年第3期203-207,共5页

基金 Project supported by the National Natural Science Foundation of China.

关键词 VALENCE bond theory BONDED TABLEAU UNITARY group APPROACH ab INITIO valence bond theory, bonded tableau unitary group approach, ab initio

分类号 N [自然科学总论]

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Chinese Science Bulletin

1993年第3期

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All Electron Bonded Tableau Approach to π Conjugated Systems

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