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Quantum dynamics of ultrafast photoinduced processes in biological molecules (45 views)

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

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

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.

Affiliations ▼
*** IBB - CNR Affiliation

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

Details ▼
Impact factor: 0, 5-year impact factor: 0

Paper type: Journal Article,

Keywords: 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

References ▼
Kosloff, R., (1996) Dynamics of Molecules and Chemical Reactions, , edited by R. E. Wyatt and J. Z. H. Zhang, Marcel Dekker, Inc, New Yor

Beck, H., Jäckle, A., Worth, G., Meyer, H.-D., (2000) Phys. Rep, 324, p. 1

Frutos, L.M., Andriunóv, T., Santoro, F., Ferré, N., Olivucci, M., (2007) Proc Natl. Acad. of Science, 104, p. 7764. , USA

Olivucci, M., Lami, A., Santoro, F., (2005) Ang. Chem, 44, p. 5118. , Int. Ed

Logunov, S.L., Song, L., El-Sayed, M.A., (1996) J. Phys. Chem, 100, p. 18586

Kandori, H., Furatani, Y., Nishimura, S., Shichida, Y., Chosrowjan, H., Shibata, Y., Malaga, N., (2001) Chem. Phys. Lett, 334, p. 271

Santoro, F., Lami, A., Olivucci, M., (2007) Theor. Chem. Acc, 117, p. 1061

Crespo-Hernández, C.E., Cohen, B., Hare, P.M., Kohler, B., (2004) Chem. Rev, 104, p. 1977

Markovitsi, D., Talbot, F., Gustavvson, T., Onidas, D., Lazzaretto, E., (2005) J. Am. Chem. Soc, 127, p. 17130

Serrano-Andrés, L., Merchán, M., Borin, A.C., (2006) Proc Natl. Acad. of Science, 103, p. 8691. , USA

Matsika, S., (2005) J. Phys. Chem. A, 105, p. 7538

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

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* Time-Dependent and Time-Independent Approaches for the Computation of Absorption Spectra of Uracil Derivatives in Solution (47 views)
Improta R, Lami A, Barone V SF
International Journal Of Quantum Chemistry (ISSN: 0020-7608), 2010 Mar 5; 110(3): 624-636.
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1 Records (1 excluding Abstracts and Conferences).
Total impact factor: 1.302 (1.302 excluding Abstracts and Conferences).
Total 5-year impact factor: 1.305 (1.305 excluding Abstracts and Conferences).

Your bibliography query: (([btitle, keywords, abstract] 5FLUORO AND [btitle, keywords, abstract] URACIL)) AND NOT [id] = 52347

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