相关链接
联系方式
  • 通信地址:吉林省长春市柳条路吉林大学理论化学研究所
  • 邮编:130023
  • 电话:0431-58099291
  • 传真:
  • Email:lzr@jlu.edu.cn
当前位置:> 首页 > 论文著作 > 正文
Study of e Halogen Bonds in Complexes C2H4-nFn-ClF (n ) 0-2)
作者:Rui-Yan Li, Zhi-Ru Li,* Di Wu, Ying Li, Wei Chen,and Chia-Chung Sun
关键字:interaction energy optimization
论文来源:期刊
发表时间:2004年

The ð-halogen bond may be considered, in a broad sense, essentially a ð-hydrogen bond. Using the
counterpoise-corrected potential energy surface method (interaction energy optimization), the stationary
structures of the C2H4-nFn-ClF (n ) 0-2) complexes with all real frequencies have been obtained at the
MP2/aug-cc-pVDZ level.