Free Energies of Catalytic Species Adsorbed to Pt(111) Surfaces under Liquid Solvent Calculated Using Classical and Quantum Approaches - researchr publication authors

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Xiaohong Zhang, Ryan S. DeFever, Sapna Sarupria, Rachel B. Getman. Free Energies of Catalytic Species Adsorbed to Pt(111) Surfaces under Liquid Solvent Calculated Using Classical and Quantum Approaches. Journal of Chemical Information and Computer Sciences, 59(5):2190-2198, 2019. [doi]

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