QM/MM Calculation of Solvent Effects on Absorption Spectra of Guanine

Parac, M.; Doerr, M.; Marian, C. M.; Thiel, W.

doi:10.1002/jcc.21233

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QM/MM Calculation of Solvent Effects on Absorption Spectra of Guanine

Parac, M., Doerr, M., Marian, C. M., & Thiel, W. (2010). QM/MM Calculation of Solvent Effects on Absorption Spectra of Guanine. Journal of Computational Chemistry, 31, 90-106. doi:10.1002/jcc.21233.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-8DF5-9 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-001A-2E82-7

Genre: Journal Article

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Creators:
Parac, M.¹, Author
Doerr, M.¹, Author
Marian, C. M.², Author
Thiel, W.¹, Author

Affiliations:
1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590
2[Marian, Christel M.] Univ Dusseldorf, Inst Theoret Chem & Comp Chem, D-40225 Dusseldorf, Germany., ou_persistent22

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Free keywords: guanine; excitation energy; solvent effect; QM/MM; density functional theory; multireference configuration interaction

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Language(s): eng - English

Dates: Date issued: 2010

Publication Status: Issued

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Rev. Type: Peer

Identifiers: eDoc: 539738
DOI: 10.1002/jcc.21233
ISI: 000273186800008

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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: 90 - 106 Identifier: ISSN: 0192-8651