525935 Modelling Solubility of Metal Complexes in Non-Aqueous Media from First Principle Calculations: Application to Redox Flow Cell

Anwesa Karmakar1, Ping Yang1 and Enrique R. Batista2, (1)Physics and Chemistry of Materials (T-1), Los Alamos National Laboratory, Los Alamos, NM, (2)Center for Nonlinear Studies (T-CNLS), Los Alamos National Laboratory, Los Alamos, NM
See more of this Session: Industrial Applications of Computational Chemistry and Molecular Simulation
See more of this Group/Topical: Computational Molecular Science and Engineering Forum