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  Efficiency and Accuracy of the Generalized Solvent Boundary Potential for Hybrid QM/MM Simulations: Implementation for Semiempirical Hamiltonians

Benighaus, T., & Thiel, W. (2008). Efficiency and Accuracy of the Generalized Solvent Boundary Potential for Hybrid QM/MM Simulations: Implementation for Semiempirical Hamiltonians. Journal of Chemical Theory and Computation, 4, 1600-1609. doi:10.1021/ct800193a.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-8FDB-4 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-001A-313B-1
Genre: Journal Article

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 Creators:
Benighaus, T.1, Author           
Thiel, W.1, Author           
Affiliations:
1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              

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Language(s): eng - English
 Dates: 2008
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 405563
DOI: 10.1021/ct800193a
ISI: 000260047600006
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Title: Journal of Chemical Theory and Computation
  Alternative Title : J. Chem. Theory Comput.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: -
Pages: - Volume / Issue: 4 Sequence Number: - Start / End Page: 1600 - 1609 Identifier: ISSN: 1549-9618