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CNDO Studies on the Intermolecular Coulomb Interaction in TCNQ-Stack
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作者 Huang Zonghao and Zhao Chengda (Department of Chemistry, Northeast Normal University, Changchun) 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 1989年第4期331-335,共5页
The coulomb interaction among TCNQ- molecules in different stack structures was calculated by quantum chemistry CNDO method. The results of the calculation would be used to explain the change rule of the electricity p... The coulomb interaction among TCNQ- molecules in different stack structures was calculated by quantum chemistry CNDO method. The results of the calculation would be used to explain the change rule of the electricity property of the TCNQ complex very well. 展开更多
关键词 tcnq-stack intermolecular coulomb interaction cndo method.
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