THEORETICAL STUDY OF REACTION DYNAMICS OF H2 ■ H+H ON LITHIUM（100） SURFACE

来源 :中国科学：化学英文版 | 被引量 : 0次 | 上传用户：hensun01

【摘要】

：

A generalized LEPS potential energy surface of （H2?H +H）/Li（100） plane systemwas constructed based on the ab initio SCF absorption and surface diffusion

【作者】

：

王泽新蔡政亭居冠之关大任邓从豪

【机构】

：

AppliedChemistryDepartment,QingdaoInstituteofChemicalTechnology,Qingdao266042,PRC,TheoreticalChemist

【出处】

：

中国科学：化学英文版

【发表日期】

：

1991年5期

【关键词】

：

potential energy SURFACE of (H2?H+H)/ Li(100) system SURF

【基金项目】

：

Project supported by the National Natural Science Foundation of China.

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A generalized LEPS potential energy surface of （H2?H +H）/Li（100） plane systemwas constructed based on the ab initio SCF absorption and surface diffusion of a hydrogenatom on lithium（100） surface, and reaction kinetic behaviour of th

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THEORETICAL STUDY OF REACTION DYNAMICS OF H<sub>2</sub> ■ H+H ON LITHIUM（100） SURFACE

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