Chem. J. Chinese Universities ›› 1988, Vol. 9 ›› Issue (3): 298.
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Shen Erzhong, Wang Zhizhong, Jiang Yuansheng
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Abstract: Aprogram plotting molecular orbitals for the ab initio calculations using STO-NG basis set is reported in this paper.The program can used to draw the stereograms and their sectional maps of the computed atomic or molecular orbitals.As an example, we have shown some diagrams for the Hand C6H6.
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Shen Erzhong, Wang Zhizhong, Jiang Yuansheng . A Program Plotting Molecular Orbitals for the Ab Initio Calculations[J]. Chem. J. Chinese Universities, 1988, 9(3): 298.
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http://www.cjcu.jlu.edu.cn/EN/Y1988/V9/I3/298
