Chem. J. Chinese Universities ›› 1986, Vol. 7 ›› Issue (10): 937.
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Chen Zhixing
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Abstract: The principles of the separation ofπ-system in SCFMOmethods arc described.The π-resonance integral contribution to energy is proposed as a measure of π-bonding.It is indicated by the π-rcsonance integral contributions and other data of π-system that the C-Cbond in ethane is not a pure single bond but has a small amount of π-bonding The data showing the resemblance of ethane and propylene to butadiene are presented.The details of the algorithm for separating π-system arc presented.
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Chen Zhixing . Separation of π-System in SCF-MO Methods[J]. Chem. J. Chinese Universities, 1986, 7(10): 937.
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http://www.cjcu.jlu.edu.cn/EN/Y1986/V7/I10/937