Prediction of the acid dissociation constant pKa by means of electronic theory
Hiroki Sato, Tomohiko Ishii, Genta Sakane, Kazuyosi Ogasawara
acid dissociation constant, DV-Xα molecular orbital method, para-methylphenol
Bulletin of the Society for Discrete Variational Xα
The Society for Discrete Variational Xα
27
1&2
116
120