On the Challenge of Obtaining an Accurate Solvation Energy Estimate in Simulations of Electrocatalysis.

Autor: Kirchhoff, Björn1,2 (AUTHOR) bjoern.kirchhoff@uni-ulm.de, Jónsson, Elvar Ö.2 (AUTHOR), Jacob, Timo1,3,4 (AUTHOR), Jónsson, Hannes2 (AUTHOR)
Zdroj: Topics in Catalysis. Sep2023, Vol. 66 Issue 15/16, p1244-1259. 16p.
Databáze: Academic Search Ultimate
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