"Probing the range of applicability of structure- and energy-adjusted QM/MM ..."

Felix R. S. Purtscher, Thomas S. Hofer (2024)

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DOI: 10.1002/JCC.27428

access: closed

type: Journal Article

metadata version: 2024-09-08

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Felix R. S. Purtscher, Thomas S. Hofer:
Probing the range of applicability of structure- and energy-adjusted QM/MM link bonds III: QM/MM MD simulations of solid-state systems at the example of layered carbon structures. J. Comput. Chem. 45(26, October): 2186-2197 (2024)

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