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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?
Publication with shared reference
10.1002/jcc.22886
Home
Publications
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?
Publication with shared reference
10.1002/jcc.22886
Publications with shared reference:
A reliable and efficient first principles‐based method for predicting p
K
a
values. III. Adding explicit water molecules: Can the theoretical slope be reproduced and p
K
a
values predicted more accurately?
0
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