Communication: Transient Anion States Of Phenol...(h2o) N (n = 1, 2) Complexes: Search For Microsolvation Signatures

dc.creatorDe Oliveira E.M.
dc.creatorFreitas T.C.
dc.creatorCoutinho K.
dc.creatorDo N. Varella M.T.
dc.creatorCanuto S.
dc.creatorLima M.A.P.
dc.creatorBettega M.H.F.
dc.date2014
dc.date2015-06-25T17:52:44Z
dc.date2015-11-26T14:18:39Z
dc.date2015-06-25T17:52:44Z
dc.date2015-11-26T14:18:39Z
dc.date.accessioned2018-03-28T21:19:57Z
dc.date.available2018-03-28T21:19:57Z
dc.identifier
dc.identifierJournal Of Chemical Physics. American Institute Of Physics Inc., v. 141, n. 5, p. - , 2014.
dc.identifier219606
dc.identifier10.1063/1.4892066
dc.identifierhttp://www.scopus.com/inward/record.url?eid=2-s2.0-84906061825&partnerID=40&md5=9b81b662dd29223b6888ac9dd48b77dd
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/86330
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/86330
dc.identifier2-s2.0-84906061825
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1243697
dc.descriptionWe report on the shape resonance spectra of phenol-water clusters, as obtained from elastic electron scattering calculations. Our results, along with virtual orbital analysis, indicate that the well-known indirect mechanism for hydrogen elimination in the gas phase is significantly impacted on by microsolvation, due to the competition between vibronic couplings on the solute and solvent molecules. This fact suggests how relevant the solvation effects could be for the electron-driven damage of biomolecules and the biomass delignification [E. M. de Oliveira et al., Phys. Rev. A 86, 020701(R) (2012)]. We also discuss microsolvation signatures in the differential cross sections that could help to identify the solvated complexes and access the composition of gaseous admixtures of these species. © 2014 AIP Publishing LLC.
dc.description141
dc.description5
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dc.descriptionNSF; National Stroke Foundation
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dc.languageen
dc.publisherAmerican Institute of Physics Inc.
dc.relationJournal of Chemical Physics
dc.rightsaberto
dc.sourceScopus
dc.titleCommunication: Transient Anion States Of Phenol...(h2o) N (n = 1, 2) Complexes: Search For Microsolvation Signatures
dc.typeArtículos de revistas


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