Citation: Yu Bin WANG, Xin Ji HONG, Zhen Yi WEN. AN AB INITIO SORBIE-MURREL POTENTIAL ENERGY SURFACE OF CARBON DISULFIDE[J]. Chinese Chemical Letters, ;1995, 6(5): 411-414. shu

AN AB INITIO SORBIE-MURREL POTENTIAL ENERGY SURFACE OF CARBON DISULFIDE

Institute of Modern Physics, Northwest University, Xian 710069

Received Date: 5 December 1994

Fund Project: This work is supported by the National Natural Science Foundation of China.

In this letter ab initio electronic structure calculations are performed for extensive geometries of CS₂.A newly written program is used to fit the computed energies into the Sorbie-Murrel function,whose contour plots are illustrated.
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