Smooth solvation method for d-orbital semiempirical calculations of biological 
reactions. 1. Implementation

Khandogin, J.; Gregersen, B. A.; Thiel, W.; York, D. M.

doi:10.1021/jp044062d

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Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 1. Implementation

Khandogin, J., Gregersen, B. A., Thiel, W., & York, D. M. (2005). Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 1. Implementation. Journal of Physical Chemistry B, 109(19), 9799-9809. doi:10.1021/jp044062d.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-95AD-A Version Permalink: https://hdl.handle.net/11858/00-001M-0000-001A-3242-5

Genre: Journal Article

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Creators:
Khandogin, J.¹, Author
Gregersen, B. A.¹, Author
Thiel, W.², Author
York, D. M.¹, Author

Affiliations:
1Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA, ou_persistent22
2Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590

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Language(s): eng - English

Dates: Date issued: 2005

Publication Status: Issued

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Rev. Type: Peer

Identifiers: eDoc: 265871
DOI: 10.1021/jp044062d
ISI: 000229134000085

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Title: Journal of Physical Chemistry B

Alternative Title : J. Phys. Chem. B

Source Genre: Journal

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Pages: - Volume / Issue: 109 (19) Sequence Number: - Start / End Page: 9799 - 9809 Identifier: ISSN: 1520-6106