QM/MM Study of the Absorption Spectra of DsRed.M1 Chromophores

Sánchez-García, Elsa; Doerr, M.; Thiel, W.

doi:10.1002/jcc.21443

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QM/MM Study of the Absorption Spectra of DsRed.M1 Chromophores

Sánchez-García, E., Doerr, M., & Thiel, W. (2010). QM/MM Study of the Absorption Spectra of DsRed.M1 Chromophores. Journal of Computational Chemistry, 31, 1603-1612. doi:10.1002/jcc.21443.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-8DD1-A Version Permalink: https://hdl.handle.net/11858/00-001M-0000-001A-2E86-0

Genre: Journal Article

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Creators:
Sánchez-García, Elsa¹, Author
Doerr, M.², Author
Thiel, W.², Author

Affiliations:
1Research Group Sánchez-García, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1950289
2Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590

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Free keywords: red fluorescent protein; QM/MM; absorption spectra; excited states; DFT/MRCI; OM2; TDDFT

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Language(s): eng - English

Dates: Date issued: 2010

Publication Status: Issued

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Rev. Type: Peer

Identifiers: eDoc: 538910
DOI: 10.1002/jcc.21443
ISI: 000277483500004

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Title: Journal of Computational Chemistry

Alternative Title : J. Comput. Chem.

Source Genre: Journal

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Publ. Info: HOBOKEN : JOHN WILEY & SONS INC

Pages: - Volume / Issue: 31 Sequence Number: - Start / End Page: 1603 - 1612 Identifier: ISSN: 0192-8651