Chem. J. Chinese Universities ›› 1986, Vol. 7 ›› Issue (1): 75.
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Guo Hua, Tian Anmin, Yan Guosen
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Abstract: Aprogram has been developed for calculation of the spin-orbit coupling constants of molecules. With this program we calculated the spin-orbit coupling constants of two diatomic molecules NS(X2Ⅱ) and SiF(X2Ⅱ).Excellent agreement between experimental and calculated values has been obtained if the core polarization is considered.
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Guo Hua, Tian Anmin, Yan Guosen . Non-Empirical Calculation of Spin-Orbit Coupling Constants of Diatomic Molecules NS(X2Ⅱ) and SiF(X2Ⅱ)[J]. Chem. J. Chinese Universities, 1986, 7(1): 75.
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http://www.cjcu.jlu.edu.cn/EN/Y1986/V7/I1/75
