Effect of orbital and ionic dynamics coupling in barrier crossing rates for Car-Parrinello molecular dynamics
Chemical Physics Letters
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| Main Authors: | , , , |
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| Other Authors: | |
| Format: | Article |
| Published: |
Elsevier
2016
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| Online Access: | http://scholarbank.nus.edu.sg/handle/10635/123311 |
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| Institution: | National University of Singapore |