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"Convergence in the QM-only and QM/MM modeling of enzymatic reactions: A ..."

Rong-Zhen Liao, Walter Thiel (2013)

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DOI: 10.1002/JCC.23403

access: closed

type: Journal Article

metadata version: 2020-04-01

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Rong-Zhen Liao, Walter Thiel:
Convergence in the QM-only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydratase. J. Comput. Chem. 34(27): 2389-2397 (2013)

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