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dc.contributor.authorGordillo, M.C. 
dc.contributor.authorMartí, J.
dc.date.accessioned2014-06-12T18:31:41Z
dc.date.available2014-06-12T18:31:41Z
dc.date.issued2001-04
dc.identifier.citationPhysical Review B - Condensed Matter and Materials Physics, 2001;63(16):1654301-1654305
dc.identifier.issn1098-0121
dc.identifier.urihttp://hdl.handle.net/10433/922
dc.description.abstractWe report the results of a calculation of the vibrational and rotational spectra of water confined in carbon nanotubes. Water has been modeled with a flexible version of the simple point charge model of Berendsen et al., while the carbon nanotubes are taken to be soft potential walls interacting with water through a Lennard-Jones-type potential. The comparison of the computed absorption line shapes with the corresponding ones of liquid bulk water shows significant shifts in the positions of the spectral bands directly related to the tube radii.
dc.description.sponsorshipUniversidad Pablo de Olavide. Departamento de Sistemas Físicos, Químicos y Naturales
dc.format.mimetypeapplication/pdf
dc.language.isoen
dc.publisherAmerican Physical Society
dc.relation.publisherversionhttp://dx.doi.org/10.1103/PhysRevB.63.165430
dc.rightsAmerican Physical Society
dc.subjectWater
dc.subjectCarbon nanotubes
dc.titleEffects of confinement on the vibrational spectra of liquid water adsorbed in carbon nanotubes
dc.typeinfo:eu-repo/semantics/article
dc.description.versionVersión del editor
dc.rights.accessRightsopenAccess
dc.rights.accessRightsopenAccesses_ES


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