Ion-orbital coupling in Car-Parrinello calculations of hydrogen-bond vibrational dynamics: Case study with the NH3-HCl dimer
10.1063/1.3633273
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sg-nus-scholar.10635-941042023-10-29T21:35:54Z Ion-orbital coupling in Car-Parrinello calculations of hydrogen-bond vibrational dynamics: Case study with the NH3-HCl dimer Ong, S.W. Lee, B.X.B. Kang, H.C. CHEMISTRY 10.1063/1.3633273 Journal of Chemical Physics 135 10 - JCPSA 2014-10-16T08:32:11Z 2014-10-16T08:32:11Z 2011-09-14 Article Ong, S.W., Lee, B.X.B., Kang, H.C. (2011-09-14). Ion-orbital coupling in Car-Parrinello calculations of hydrogen-bond vibrational dynamics: Case study with the NH3-HCl dimer. Journal of Chemical Physics 135 (10) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.3633273 00219606 http://scholarbank.nus.edu.sg/handle/10635/94104 000296032400010 Scopus |
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Singapore Singapore |
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| description |
10.1063/1.3633273 |
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CHEMISTRY |
| author_facet |
CHEMISTRY Ong, S.W. Lee, B.X.B. Kang, H.C. |
| format |
Article |
| author |
Ong, S.W. Lee, B.X.B. Kang, H.C. |
| spellingShingle |
Ong, S.W. Lee, B.X.B. Kang, H.C. Ion-orbital coupling in Car-Parrinello calculations of hydrogen-bond vibrational dynamics: Case study with the NH3-HCl dimer |
| author_sort |
Ong, S.W. |
| title |
Ion-orbital coupling in Car-Parrinello calculations of hydrogen-bond vibrational dynamics: Case study with the NH3-HCl dimer |
| title_short |
Ion-orbital coupling in Car-Parrinello calculations of hydrogen-bond vibrational dynamics: Case study with the NH3-HCl dimer |
| title_full |
Ion-orbital coupling in Car-Parrinello calculations of hydrogen-bond vibrational dynamics: Case study with the NH3-HCl dimer |
| title_fullStr |
Ion-orbital coupling in Car-Parrinello calculations of hydrogen-bond vibrational dynamics: Case study with the NH3-HCl dimer |
| title_full_unstemmed |
Ion-orbital coupling in Car-Parrinello calculations of hydrogen-bond vibrational dynamics: Case study with the NH3-HCl dimer |
| title_sort |
ion-orbital coupling in car-parrinello calculations of hydrogen-bond vibrational dynamics: case study with the nh3-hcl dimer |
| publishDate |
2014 |
| url |
http://scholarbank.nus.edu.sg/handle/10635/94104 |
| _version_ |
1781786042412564480 |