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  Model Systems for Dynamics of π-Conjugated Biomolecules in Excited States

Barbatti, M., Ruckenbauer, M., Szymczak, J. J., Sellner, B., Vazdar, M., Antol, I., et al. (2012). Model Systems for Dynamics of π-Conjugated Biomolecules in Excited States. In J. Leszczynski (Ed.), Handbook of Computational Chemistry (pp. 1175-1213). Dordrecht: Springer Science+Business Media B.V.

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Datensatz-Permalink: https://hdl.handle.net/11858/00-001M-0000-0014-A3AA-2 Versions-Permalink: https://hdl.handle.net/11858/00-001M-0000-0014-A3AB-F
Genre: Buchkapitel

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 Urheber:
Barbatti, Mario1, 2, Autor           
Ruckenbauer, Matthias2, 3, Autor
Szymczak, Jaroslaw J.2, Autor
Sellner, Bernhard2, Autor
Vazdar, Mario4, Autor
Antol, Ivana4, Autor
Eckert-Maksić, Mirjana4, Autor
Lischka, Hans2, 5, Autor
Affiliations:
1Research Group Barbatti, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445594              
2Institute for Theoretical Chemistry, University of Vienna, Vienna, Austria, ou_persistent22              
3Research Lab Computational Technologies and Applications, University of Vienna, Vienna, Austria, ou_persistent22              
4Laboratory for Physical-Organic Chemistry – Division of Organic Chemistry and Biochemistry, Rudjer Bošković Institute, Zagreb, Croatia, ou_persistent22              
5Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA, ou_persistent22              

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Schlagwörter: -
 Zusammenfassung: Mixed-quantum classical dynamics simulations have recently become an important tool for investigations of time-dependent properties of electronically excited molecules, including non-adiabatic effects occurring during internal conversion processes. The high computational costs involved in such simulations have often led to simulation of model compounds instead of the full biochemical system. This chapter reviews recent dynamics results obtained for models of three classes of biologically relevant systems: protonated Schiff base chains as models for the chromophore of rhodopsin proteins; nucleobases and heteroaromatic rings as models for UV-excited nucleic acids; and formamide as a model for photoexcited peptide bonds.

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Sprache(n): eng - English
 Datum: 2012
 Publikationsstatus: Erschienen
 Seiten: 39
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1007/978-94-007-0711-5_33
 Art des Abschluß: -

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Titel: Handbook of Computational Chemistry
Genre der Quelle: Buch
 Urheber:
Leszczynski, Jerzy1, Herausgeber
Affiliations:
1 Department of Chemistry and Biochemistry, Jackson State University, Jackson, MS 39217, USA, ou_persistent22            
Ort, Verlag, Ausgabe: Dordrecht : Springer Science+Business Media B.V.
Seiten: 39 Band / Heft: 3 Artikelnummer: - Start- / Endseite: 1175 - 1213 Identifikator: ISBN: 978-94-007-0710-8