期刊论文

Lin, Ying Wu

英文

中国化学快报：英文版

1001-8417

2008

19

1

119-122

10.1016/j.cclet.2007.11.014

This work was supported by Hunan Natural Science Foundation （No. 06FJ4104） and the Initial Foundation for excellent Ph.D. introduced into University of South China （No. 506XJQ06001）.

本校为第一且通讯机构

The relatively weak interactions between some non-charged amino acids with CO were investigated theoretically by using density functional theory (DFT) method. The stretching frequency of CO correlates well with its bond length followed the Badger's rule, and the correlation between binding energy and Mulliken charge partition of CO was also investigated ...

The relatively weak interactions between some non-charged amino acids with CO were investigated theoretically by using density functional theory（DFT）method.The stretching frequency of CO correlates well with its bond length followed the Badger’s rule,and the correlation between binding energy and Mulliken charge partition of CO was also ...