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  Electronically excited states and photodynamics: a continuing challenge

Plasser, F., Barbatti, M. C., Aquino, A. J. A., & Lischka, H. (2012). Electronically excited states and photodynamics: a continuing challenge. Theoretical Chemistry Accounts, 131(1): 1073, pp. 1073. doi:10.1007/s00214-011-1073-y.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-000E-ED34-1 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-001A-33C8-4
Genre: Journal Article

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 Creators:
Plasser, Felix1, Author
Barbatti, Mario Cesar2, Author              
Aquino, Adélia J. A.1, 3, 4, Author
Lischka, Hans1, 3, Author
Affiliations:
1Institute for Theoretical Chemistry, University of Vienna, Waehringerstrasse 17, 1090 Vienna, Austria, ou_persistent22              
2Research Group Barbatti, Max-Planck-Institut für Kohlenforschung, Max Planck Society, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, DE, ou_1445594              
3Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, TX 79409-1061, USA, ou_persistent22              
4Institute of Soil Research, University of Natural Resources and Applied Life Sciences Vienna, Peter-Jordan-Straße 82, 1190 Vienna, Austria , ou_persistent22              

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 Abstract: The purpose of this contribution is the description of the progress in theoretical investigations on electronically excited states in connection with photodynamical simulations made within the last years and to provide an outlook on the scope of future applications and challenges. An overview over excited-state phenomenology is given and the applicability of different computational methods is discussed. Both electronic structure- and dynamics methods are considered. The examples presented comprise the explanation of the photostability of individual DNA nucleobases, the photodynamics of DNA including excitonic and charge-transfer processes, the primary processes of vision and the broad field of photovoltaics, photodevices, and molecular machines

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 Dates: 2012
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1007/s00214-011-1073-y
 Degree: -

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Title: Theoretical Chemistry Accounts
Source Genre: Journal
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Publ. Info: Springer-Verlag
Pages: - Volume / Issue: 131 (1) Sequence Number: 1073 Start / End Page: 1073 Identifier: ISSN: 1432-881X