Open AccessHydration free energies of the silica silanol groups in the density functional theory.
Author(s) -
Mykyta Onizhuk,
V. V. Ivanov,
А. В. Пантелеймонов,
Yu. V. Kholin
Publication year - 2017
Publication title -
vìsnik harkìvsʹkogo nacìonalʹnogo unìversitetu. serìâ hìmìâ
Language(s) - English
Resource type - Journals
eISSN - 2220-6396
pISSN - 2220-637X
DOI - 10.26565/2220-637x-2017-28-03
Subject(s) - silanol , density functional theory , chemistry , materials science , computational chemistry , organic chemistry , catalysis