"Comparative first principles-based molecular dynamics study of catalytic ..."

Adyasa Priyadarsini, Bhabani S. Mallik (2021)

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DOI: 10.1002/JCC.26528

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type: Journal Article

metadata version: 2021-06-15

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Adyasa Priyadarsini, Bhabani S. Mallik:
Comparative first principles-based molecular dynamics study of catalytic mechanism and reaction energetics of water oxidation reaction on 2D-surface. J. Comput. Chem. 42(16): 1138-1149 (2021)

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