Ion-orbital coupling in Car-Parrinello calculations of hydrogen-bond vibrational dynamics: Case study with the NH3-HCl dimer
10.1063/1.3633273
Saved in:
Main Authors: | Ong, S.W., Lee, B.X.B., Kang, H.C. |
---|---|
其他作者: | CHEMISTRY |
格式: | Article |
出版: |
2014
|
在線閱讀: | http://scholarbank.nus.edu.sg/handle/10635/94104 |
標簽: |
添加標簽
沒有標簽, 成為第一個標記此記錄!
|
機構: | National University of Singapore |
相似書籍
-
Vibrational frequencies in Car-Parrinello molecular dynamics
由: Ong, S.W., et al.
出版: (2014) -
Effect of orbital and ionic dynamics coupling in barrier crossing rates for Car-Parrinello molecular dynamics
由: Mohanam, L.N., et al.
出版: (2016) -
Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of 7-azaindole dimer
由: Nawee Kungwan, et al.
出版: (2018) -
Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of 7-azaindole dimer
由: Nawee Kungwan, et al.
出版: (2018) -
Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of 7-azaindole dimer
由: Kungwan N., et al.
出版: (2014)