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The structure and potential energy function of SiOH and HSiO

Gao Qing-He Guo Yun-Dong Yang Ze-Jin Cheng Xin-Lu Zhu Zheng-He Yang Xiang-Dong

The structure and potential energy function of SiOH and HSiO

Gao Qing-He, Guo Yun-Dong, Yang Ze-Jin, Cheng Xin-Lu, Zhu Zheng-He, Yang Xiang-Dong
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  • Abstract views:  3474
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  • Received Date:  04 June 2007
  • Accepted Date:  03 July 2007
  • Published Online:  20 March 2008

The structure and potential energy function of SiOH and HSiO

  • 1. (1)辽宁中医药大学信息工程学院物理教研室,沈阳 110032; (2)内江师范学院物理系,内江 641112; (3)四川大学原子与分子物理研究所,成都 610065

Abstract: By using B3P86/6-311++G** method, the equilibrium geometry of SiOH/HSiO (CS,X2A′)molecule has been calculated .The possible electronic state and the reasonable dissociation limit for the ground state of SiOH molecule is determined based on atomic and molecular reaction statics. The analytic potential energy function of SiOH molecule was derived by many-body expansion theory.

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