Chemical Research in Chinese Universities ›› 1989, Vol. 5 ›› Issue (4): 331-335.
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Huang Zonghao, Zhao Chengda
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Abstract: 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.
Key words: TCNQ-stack, Intermolecular coulomb interaction, CNDO method.
Huang Zonghao, Zhao Chengda . CNDO Studies on the Intermolecular Coulomb Interaction in TCNQ-Stack[J]. Chemical Research in Chinese Universities, 1989, 5(4): 331-335.
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https://crcu.jlu.edu.cn/EN/Y1989/V5/I4/331
