Cavity-Free Continuum Solvation: Implementation and Parametrization in a Multiwavelet Framework.

Autor: Gerez S, Gabriel A., Di Remigio Eikås, Roberto, Jensen, Stig Rune, Bjørgve, Magnar, Frediani, Luca
Zdroj: Journal of Chemical Theory & Computation; 4/11/2023, Vol. 19 Issue 7, p1986-1997, 12p
Databáze: Supplemental Index