"Molecular mechanisms from reaction coordinate graph enabled ..."

Tomás Bruce-Chwatt, Kevin J. Naidoo (2022)

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DOI: 10.1002/JCC.26982

access: open

type: Journal Article

metadata version: 2022-10-24

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Tomás Bruce-Chwatt, Kevin J. Naidoo:
Molecular mechanisms from reaction coordinate graph enabled multidimensional free energies illustrated on water dimer hydrogen bonding. J. Comput. Chem. 43(26): 1802-1813 (2022)

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