Chem. J. Chinese Universities ›› 1986, Vol. 7 ›› Issue (3): 265.
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Z. H. Zhu
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Abstract: It is considerable interest to notice that a stable structure SSOis in Cs symmetry, but its melastable structure SOSin C2v symmetry. Using the contracted split-type Gaussian base sets with polarization functions, SOSwas discovered for the first time at HFSCFlevel. There have been no detailed studies, of the SSOsurface, although it was examined by a microwave spectrum as early as 1959. In this paper an analytical potential function based on the many-body expansion has been derived for both the SSOand the SOSsurfaces,which are adequate accuracy in the whole region for the dynamical research.
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Z. H. Zhu . Analytical Potential Function for Polyatomic Systems—Application to SSO and SOS[J]. Chem. J. Chinese Universities, 1986, 7(3): 265.
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http://www.cjcu.jlu.edu.cn/EN/Y1986/V7/I3/265