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Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/31891
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dc.contributor.authorTanimura, Y.-
dc.contributor.authorLeite, VBP-
dc.contributor.authorOnuchic, J. N.-
dc.date.accessioned2014-05-20T15:20:38Z-
dc.date.accessioned2016-10-25T17:53:48Z-
dc.date.available2014-05-20T15:20:38Z-
dc.date.available2016-10-25T17:53:48Z-
dc.date.issued2002-08-01-
dc.identifierhttp://dx.doi.org/10.1063/1.1488588-
dc.identifier.citationJournal of Chemical Physics. Melville: Amer Inst Physics, v. 117, n. 5, p. 2172-2179, 2002.-
dc.identifier.issn0021-9606-
dc.identifier.urihttp://hdl.handle.net/11449/31891-
dc.identifier.urihttp://acervodigital.unesp.br/handle/11449/31891-
dc.description.abstractEnergy fluctuations of a solute molecule embedded in a polar solvent are investigated to depict the energy landscape for solvation dynamics. The system is modeled by a charged molecule surrounded by two layers of solvent dipolar molecules with simple rotational dynamics. Individual solvent molecules are treated as simple dipoles that can point toward or away from the central charge (Ising spins). Single-spin-flip Monte Carlo kinetics simulations are carried out in a two-dimensional lattice for different central charges, radii of outer shell, and temperatures. By analyzing the density of states as a function of energy and temperatures, we have determined the existence of multiple freezing transitions. Each of them can be associated with the freezing of a different layer of the solvent. (C) 2002 American Institute of Physics.en
dc.format.extent2172-2179-
dc.language.isoeng-
dc.publisherAmerican Institute of Physics (AIP)-
dc.sourceWeb of Science-
dc.titleThe energy landscape for solvent dynamics in electron transfer reactions: A minimalist modelen
dc.typeoutro-
dc.contributor.institutionInst Mol Sci-
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)-
dc.contributor.institutionUniv Calif San Diego-
dc.description.affiliationInst Mol Sci, Aichi 4448585, Japan-
dc.description.affiliationUniv Estadual Paulista, IBILCE, Dept Fis, BR-15054000 Sao Jose do Rio Preto, SP, Brazil-
dc.description.affiliationUniv Calif San Diego, Dept Phys, La Jolla, CA 92093 USA-
dc.description.affiliationUnespUniv Estadual Paulista, IBILCE, Dept Fis, BR-15054000 Sao Jose do Rio Preto, SP, Brazil-
dc.identifier.doi10.1063/1.1488588-
dc.identifier.wosWOS:000176874200029-
dc.rights.accessRightsAcesso restrito-
dc.identifier.fileWOS000176874200029.pdf-
dc.relation.ispartofJournal of Chemical Physics-
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