- 李志儒 教授
- 吉林大學理論化學研究所
- 網址: LiZhiru.polymer.cn 訪問量:300197
Proton Transfer of NH3-HCl Catalyzed by Only One Molecule
作者:Ru-Jiao Li, Zhi-Ru Li,* Di Wu, Wei Chen, Ying Li, Bing-Qiang Wang, and Chia-Chung Sun
關鍵字:Proton Transfer
論文來源:期刊
發表時間:2004年
關鍵字:Proton Transfer
論文來源:期刊
發表時間:2004年
The proton transfer in NH3-HCl by only one molecule of catalyst was studied by using the MP2 method
with the large 6-311++G(2d,2p) basis set. The 18 structures are obtained for the smallest units, NH3-
HCl-A trimers, for which the proton transfer maybe occurred.