Search

Article

x

留言板

尊敬的读者、作者、审稿人, 关于本刊的投稿、审稿、编辑和出版的任何问题, 您可以本页添加留言。我们将尽快给您答复。谢谢您的支持!

姓名
邮箱
手机号码
标题
留言内容
验证码

Structure and analytic potential energy function of N2O isomer

Wu Dong-Lan Cheng Xin-Lu Yang Xiang-Dong Xie An-Dong Wang Hui-Jun

Structure and analytic potential energy function of N2O isomer

Wu Dong-Lan, Cheng Xin-Lu, Yang Xiang-Dong, Xie An-Dong, Wang Hui-Jun
PDF
Get Citation

(PLEASE TRANSLATE TO ENGLISH

BY GOOGLE TRANSLATE IF NEEDED.)

Metrics
  • Abstract views:  3564
  • PDF Downloads:  813
  • Cited By: 0
Publishing process
  • Received Date:  20 April 2008
  • Accepted Date:  08 August 2008
  • Published Online:  05 June 2008

Structure and analytic potential energy function of N2O isomer

  • 1. 

Abstract: The equilibrium geometry of N2O, NO and N2 molecules have been calculated on the computational levels of density functional theory. The Murrell-Sorbie analytic potential energy function of NO and N2 molecules have been derived through the least-square fitting to ab initio data. Similarly, the harmonic frequency has been calculated and the analytic potential energy function of linear molecule N2O isomer is derived by many-body expansion theory for the first time.

Catalog

    /

    返回文章
    返回