A reliable and efficient first principles-based method for predicting pK(a) values. III. Adding explicit water molecules: can the theoretical slope be reproduced and pK(a) values predicted more accurately? (Q53884454)
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| Language | Label | Description | Also known as |
|---|---|---|---|
| English | A reliable and efficient first principles-based method for predicting pK(a) values. III. Adding explicit water molecules: can the theoretical slope be reproduced and pK(a) values predicted more accurately? |
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A reliable and efficient first principles-based method for predicting pK(a) values. III. Adding explicit water molecules: can the theoretical slope be reproduced and pK(a) values predicted more accurately? (English)
Shuming Zhang
16 December 2011
33
5
517-526
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