Open AccessHow to Predict the pKa of Any Compound in Any Solvent
Author(s) -
Michael Busch,
Ernst Ahlberg,
Elisabet Ahlberg,
Kari Laasonen
Publication year - 2022
Publication title -
acs omega
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.779
H-Index - 40
ISSN - 2470-1343
DOI - 10.1021/acsomega.2c01393
Subject(s) - solvation , chemistry , solvent , computation , scaling , computational chemistry , implicit solvation , proton , simple (philosophy) , molecule , solvent models , thermodynamics , statistical physics , computer science , algorithm , organic chemistry , mathematics , physics , quantum mechanics , philosophy , geometry , epistemology