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Quantum dynamics of ultrafast photoinduced processes in biological molecules (53 visite)

Santoro F, Barone V, Improta R, Lami A, Olivucci M

Aip Conf Proc (ISSN: 0094-243x), 2007; 963(2): 667-670.

Tipo di articolo: Journal Article,

Impact factor: 0

Impact factor a 5 anni: 0


Parole chiave: 5fluoro-Uracil, Adenite Dimers, Nonadiabatic Quantum Dynamics, Nonradiative Transitions, Photodeactivation, Photoisomerization, Retinal,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-71449124601&partnerID=40&md5=5e3117a01f05937068ed02e85dd27311

We present different examples where a quantum dynamical approach to photoinduced processes can reveal features and give answers not available only on the ground of static computations of the potential energy surfaces (PES). We face with different processes of great biological relevance and namely the retinal photoisomerization and the internal conversion in monomers and dimers of DNA nucleobases. Depending on the case, we compute dynamics on a single or on coupled excited electronic states, with PES obtained by first-principle calculations or provided by model Hamiltonians. © 2007 American Institute of Physics.
*** IBB - CNR ***

Istituto per i Processi Chimico-Fisici del CNR, Area della Ricerca del CNR, Via G. Moruzzi 1, 56124 Pisa, Italy

Dipartimento di Chimica, Università Federico II di Napoli, Complesso Universitario Monte S. Angelo, Via Cintia, 11, 80126 Napoli, Italy

Istituto di Biostrutture eBioimmagini del CNR, Via Mezzocannone 6, 80134 Napoli, Italy

Centro per lo Studio dei Sistemi Complessi, Via Tommaso Pendola 37, I-53100 Siena, Italy
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Santoro, F., Barone, V., Gustavsson, T., Improta, R., (2006) J. Am. Chem. Soc, 128, p. 16312

ibidem 441, E8.3 (2006)Markovitsi, D., Talbot, F., Gustavvson, T., Onidas, D., Lazzaretto, E., Marguet, S., (2006) Nature, 441, pp. E7

Kwok, W.-M., Phillips, D.L., (2006) J. Am. Chem. Soc, 128, p. 11894

Hare, P.M., Crespo-Hernández, C.E., Kohler, B., (2007) Proc. Natl. Acad. Science, USA, 104, p. 435

A4 - Eur. Soc. Comput. Methods Sci. Eng. ESCMSE

Ministry of National Education and Religious Affairs

E4 Computer Engineering

Nessun risultato.
Nessun risultato.


Contiene: [X]      Estesa  

Autori: [X]   E Tipo di lavoro: [X]

E Data iniziale: Data finale: [X]   E Sede:  E    Affiliazione IBB   [Pulisci modulo]



Nessun risultato.


Interrogazione bibliografica effettuata: (([btitle] "5fluoro-Uracil" OR [btitle] "Adenite Dimers" OR [btitle] "Nonadiabatic Quantum Dynamics" OR [btitle] "Nonradiative Transitions" OR [btitle] "Photodeactivation") AND NOT [id] = 52347)





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