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化学进展 1996, Vol. 8 Issue (04): 308- 前一篇   后一篇

• 综述与评论 •

数值微扰分子轨道法的研究进展*

虞忠衡   

  1. (中国科学院化学研究所 北京 100080)
  • 收稿日期:1995-12-01 修回日期:1996-02-01 出版日期:1996-12-24 发布日期:1996-12-24

Progress in Numerical Calculation of the PMO Methods

Yu Zhongheng   

  1. (Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, China)
  • Received:1995-12-01 Revised:1996-02-01 Online:1996-12-24 Published:1996-12-24

本文介绍了分子内和分子间各类定量微扰分子轨道(PMO) 法数值计算的发展和现状。简要地介绍了Salem ,Wolfe,Bernardi, Imamura 和Morokuma 等对PMO 理论发展的贡献

The progress in the numerical calculation of the various PMO methods made by Salem , Wolfe, Bernardi, Imamura, Morokumaetal. , is reviewed1

中图分类号: 

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摘要

数值微扰分子轨道法的研究进展*