Open AccessTheoretical pKa prediction of halogenated compounds in aqueous solution using an implicit solvation model
Author(s) -
Evellyn E. Soares,
Vytor Oliveira,
Bruna L. Marcial
Publication year - 2018
Language(s) - English
Resource type - Conference proceedings
DOI - 10.21826/9788563800374018
Subject(s) - solvation , aqueous solution , implicit solvation , computational chemistry , chemistry , computer science , organic chemistry , molecule