Understanding the Temperature Dependence and Finite Size Effects in Ab Initio MD Simulations of the Hydrated Electron.

Autor: Park, Sanghyun J., Schwartz, Benjamin J.
Zdroj: Journal of Chemical Theory & Computation; 8/9/2022, Vol. 18 Issue 8, p4973-4982, 10p
Databáze: Supplemental Index