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The Journal of Physical Chemistry Letters|September 16, 2025
Multiconfiguration Pair-Density Functional Theory with Quantum Embedding Predicts Correct CO Adsorption Sites on Copper FacetsElijah Begin, Junwei Lucas BaoJournal of Chemical Theory and Computation|July 18, 2024
PW-SMD: A Plane-Wave Implicit Solvation Model Based on Electron Density for Surface Chemistry and Crystalline Systems in Aqueous SolutionYang Wang, Chong Teng, Elijah Begin, et al.Pageof 1