Elucidating and contrasting the mechanisms for Mg and Ca sulfate ion-pair formation with multi-level embedded quantum mechanics/molecular dynamics simulations.

Autor: Boyn, Jan-Niklas1 (AUTHOR), Carter, Emily A.1,2,3 (AUTHOR) eac@princeton.edu
Zdroj: Journal of Chemical Physics. 12/14/2024, Vol. 161 Issue 22, p1-13. 13p.
Databáze: Academic Search Ultimate