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Study of the substituent effect on conjugated chain polymers by quantitative PCO method
Author(s) -
He Huang Yuan,
Zhuang Liu Ruo
Publication year - 1991
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560400505
Subject(s) - substituent , polyacetylene , conjugated system , polymer , chemistry , chain (unit) , computational chemistry , crystal (programming language) , chemical physics , stereochemistry , organic chemistry , physics , quantum mechanics , computer science , programming language
The recently developed quantitative perturbational crystal orbital method was applied to study the band structures of substituted polyacetylene (PMCA and PMFA), and the interpretations given are satisfactory.