Comparison of QM-Only and QM/MM Models for the Mechanism of Tungsten-dependent 
Acetylene Hydratase

Liao, Rong-Zhen; Thiel, Walter

doi:10.1021/ct3000684

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Comparison of QM-Only and QM/MM Models for the Mechanism of Tungsten-dependent Acetylene Hydratase

Liao, R.-Z., & Thiel, W. (2012). Comparison of QM-Only and QM/MM Models for the Mechanism of Tungsten-dependent Acetylene Hydratase. Journal of Chemical Theory and Computation, 8(10), 3793-3803. doi:10.1021/ct3000684.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000E-E6C9-D Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0019-F763-B

Genre: Journal Article

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Creators:
Liao, Rong-Zhen¹, Author
Thiel, Walter¹, Author

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1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590

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Dates: Date issued: 2012

Publication Status: Issued

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Identifiers: DOI: 10.1021/ct3000684

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Title: Journal of Chemical Theory and Computation

Other : J. Chem. Theory Comput.

Source Genre: Journal

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Pages: - Volume / Issue: 8 (10) Sequence Number: - Start / End Page: 3793 - 3803 Identifier: ISSN: 1549-9618
CoNE: https://pure.mpg.de/cone/journals/resource/111088195283832
DOI: 10.1021/ct3000684