Open AccessTheoretical Study on Ionization of Boric Acid in Aqueous Solution by <i>Ab Initio</i> and DFT Methods at T=298.15 K
Author(s) -
Hoodad Ghanizadeh,
Farhoush Kiani,
Fardad Koohyar,
Bahareh Khanlarzadeh
Publication year - 2020
Publication title -
turkish journal of pharmaceutical sciences
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.241
H-Index - 14
eISSN - 2148-6247
pISSN - 1304-530X
DOI - 10.4274/tjps.galenos.2018.26818
Subject(s) - boric acid , aqueous solution , chemistry , ab initio , hydrogen bond , density functional theory , dissociation (chemistry) , computational chemistry , molecule , intermolecular force , acid dissociation constant , ab initio quantum chemistry methods , dissociation constant , basis set , boron , solvent , organic chemistry , biochemistry , receptor
The aim of this research work was to theoretically calculate the pK a value of boric acid in aqueous solution by theoretical methods at T=298.15 K.