First Principles p K a Calculations on Carboxylic Acids Using the SMD Solvation Model: Effect of Thermodynamic Cycle, Model Chemistry, and Explicit Solvent Molecules
Sutton, Catherine C. R., Franks, George V., da Silva, GabrielVolume:
116
Language:
english
Pages:
8
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/jp305876r
Date:
October, 2012
File:
PDF, 758 KB
english, 2012