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Citation: Zhang Wen-Xia, Tian Feng-Hui, Chen Shou-Gang, Wang Ze-Xin. Perturbation Potential of Twobody and Analytic Potential of Threeatom Interaction for Pathway Reaction of H₂O[J]. Acta Physico-Chimica Sinica, ;2003, 19(06): 543-548. doi: 10.3866/PKU.WHXB20030613 shu

Perturbation Potential of Twobody and Analytic Potential of Threeatom Interaction for Pathway Reaction of H₂O

1.
Department of Chemistry, Shandong Normal University, Jinan　250014

Received Date: 29 November 2002
Available Online: 15 June 2003

The concept of twobody perturbation potential was introduced in this paper, and a new theoretical method was offered for the analytic potential of threeatom interaction,which is constructed by perturbation potential of twobody. Using this method, the analytic potential function of H2O, which is a nonlinear threeatom interaction system, was obtained. The potential correctly described the character of pathways in the O（1D）＋H2→H2O→OH＋H reaction. The theoretical results are in well agreement with the experimental results. This method is easily extended to construct the analytic potential of fouratom interaction system.
- H₂O;Twobody perturbation potential;Threeatom system;　 nalytic potential energy surface;Pathway reaction
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沈阳化工大学材料科学与工程学院沈阳 110142

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Perturbation Potential of Twobody and Analytic Potential of Threeatom Interaction for Pathway Reaction of H2O

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通讯作者: 陈斌, bchen63@163.com

Perturbation Potential of Twobody and Analytic Potential of Threeatom Interaction for Pathway Reaction of H₂O