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TOPOLOGICAL REPRESENTATION OF BOND ORDER AND FRONTIER CHARGE DENSITY DISTRIBUTION OF CONJUGATED POLYENE
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作者 赵洪刚 黎明 曹阳 《Chinese Science Bulletin》 SCIE EI CAS 1981年第8期702-706,共5页
Ⅰ. INTRODUCTION In this paper, fróm the molecular orbital graphical theory we have derived the closed formula of π-bond order and frontier charge density distribution of conjugated polyene and demonstrated the ... Ⅰ. INTRODUCTION In this paper, fróm the molecular orbital graphical theory we have derived the closed formula of π-bond order and frontier charge density distribution of conjugated polyene and demonstrated the connection between conjugated polyene bend order, frontier charge density and the molecular topology. The π-electron bond order 展开更多
关键词 CONJUGATED FRONTIER orbital topology graphical bonding ALTERNATING contin ORDINATE PEKING
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