Improved pK a Prediction of Substituted Alcohols, Phenols and Hydroperoxides in Aqueous Medium Using DFT and a Cluster-Continuum Solvation Model
Thapa, Bishnu, Schlegel, H. BernhardLanguage:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.7b03907
Date:
May, 2017
File:
PDF, 1.45 MB
english, 2017