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"Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations."
H. Lee Woodcock III et al. (2007)
- H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. Gilbert, Peter M. W. Gill, Henry F. Schaefer III, Bernard R. Brooks:
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations. J. Comput. Chem. 28(9): 1485-1502 (2007)
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