Vibrational frequencies in Car-Parrinello molecular dynamics
10.1039/c0cp00411a
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Main Authors: | Ong, S.W., Tok, E.S., Kang, H.C. |
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Other Authors: | CHEMISTRY |
Format: | Article |
Published: |
2014
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Online Access: | http://scholarbank.nus.edu.sg/handle/10635/95404 |
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Institution: | National University of Singapore |
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