DOE OSTI · 2577496
Solvation Enthalpy Determination for Aqueous-Phase Reaction Adsorbates Using Ab Initio Molecular Dynamics-Based Structure Sampling
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Chun, Hee-Joon (ORCID:0000000235159420), Morankar, Ankita (ORCID:0000000307250558), Zeng, Zhenhua, Greeley, Jeffrey (ORCID:0000000184691715). 2024-01-18. Solvation Enthalpy Determination for Aqueous-Phase Reaction Adsorbates Using Ab Initio Molecular Dynamics-Based Structure Sampling. https://doi.org/10.1021/acs.jpcc.3c06870
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