"Extension of the QuickFF force field protocol for an improved accuracy of ..."

Louis Vanduyfhuys et al. (2018)

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DOI: 10.1002/JCC.25173

access: open

type: Journal Article

metadata version: 2020-04-01

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Louis Vanduyfhuys, Steven Vandenbrande, Jelle Wieme, Michel Waroquier, Toon Verstraelen, Veronique Van Speybroeck:
Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks. J. Comput. Chem. 39(16): 999-1011 (2018)

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