Prediction of the pKa by means of electronic theory and structural stability of the deprotonated compound
Hiroki Sato, Tomohiko Ishii, Genta Sakane, Kazuyoshi Ogasawara
acid dissociation constant, electronic structure
Bulletin of the Society for Discrete Variational Xα
The Society for Discrete Variational Xα
28
1&2
96
100