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Thermodynamics of the photoenzymic repair mechanism studied by density functional theory
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Quantum Chemistry.
2000 (English)In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, Vol. 122, no 41, 10126-10132 p.Article in journal (Refereed) Published
Abstract [en]

The thermodynamics of the different steps in the photoenzymic fragmentation of a thymine dimer is investigated using density functional theory (DFT) methods, including time-dependent (TD) DFT for calculating electronic transition energies, employing a mod

Place, publisher, year, edition, pages
AMER CHEMICAL SOC , 2000. Vol. 122, no 41, 10126-10132 p.
Keyword [en]
THEORETICAL AB-INITIO; COLI DNA PHOTOLYASE; ESCHERICHIA-COLI; ELECTRON-ATTACHMENT; RADICAL-CATION; ANACYSTIS-NIDULANS; PYRIMIDINE DIMERS; PRIMARY REDUCTION; CRYSTAL-STRUCTURE; 2ND CHROMOPHORE
Identifiers
URN: urn:nbn:se:uu:diva-36845OAI: oai:DiVA.org:uu-36845DiVA: diva2:64744
Note
Addresses: Eriksson LA, Univ Uppsala, Dept Quantum Chem, Box 518, S-75120 Uppsala, Sweden. Univ Uppsala, Dept Quantum Chem, S-75120 Uppsala, Sweden.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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