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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| Main Authors: | , , |
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| 格式: | Article |
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2014
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| 在線閱讀: | http://scholarbank.nus.edu.sg/handle/10635/94104 |
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