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"A reliable and efficient first principles-based method for predicting ..."
Shuming Zhang (2012)
- Shuming Zhang:
A reliable and efficient first principles-based method for predicting pKa values. III. Adding explicit water molecules: Can the theoretical slope be reproduced and pKa values predicted more accurately? J. Comput. Chem. 33(5): 517-526 (2012)
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