Registro completo de metadatos
| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.provenance | CONICET | - |
| dc.creator | Rodriguez, Javier | - |
| dc.creator | Elola, Maria Dolores | - |
| dc.creator | Laria, Daniel Hector | - |
| dc.date | 2018-04-17T15:05:54Z | - |
| dc.date | 2018-04-17T15:05:54Z | - |
| dc.date | 2014-11 | - |
| dc.date | 2018-04-11T15:13:43Z | - |
| dc.date.accessioned | 2019-04-29T15:39:22Z | - |
| dc.date.available | 2019-04-29T15:39:22Z | - |
| dc.date.issued | 2014-11 | - |
| dc.identifier | Rodriguez, Javier; Elola, Maria Dolores; Laria, Daniel Hector; Equilibrium and dynamical characteristics of Imidazole Langmuir monolayers on graphite sheets; American Chemical Society; Journal of Physical Chemistry B; 119; 29; 11-2014; 9123-9128 | - |
| dc.identifier | 1520-6106 | - |
| dc.identifier | http://hdl.handle.net/11336/42263 | - |
| dc.identifier | CONICET Digital | - |
| dc.identifier | CONICET | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/298698 | - |
| dc.description | Using molecular dynamics techniques, we examine structural and dynamical characteristics of liquid-like, Imidazole(Im) monolayers physisorbed onto a planar graphite sheet, at T = 384K. Our simulations reveal that molecular orientations in the saturated monolayer exhibit a bistable distribution, characterized by an inner parallel arrangement of the molecules in close contact with the substrate and a slanted alignment, in those lying in adjacent, outer locations. Compared to the results found in three dimensional, bulk phases, the analysis of the spatial correlations between sites participating in hydrogen bonding shows a clear enhancement of the intermolecular interactions, which also leads to stronger dipolar correlations. As a result, the gross structural features of the monolayer can be cast in terms of mesoscopic domains, comprising units articulated via winding hydrogen bonds, that persist along typical time intervals of a few tens of picoseconds. On the dynamical side, a similar comparison of the characteristic decorrelation time for orientational motions shows a 4-fold increment. Contrasting, the reduction of the system dimensionality leads to a larger diffusion constant. Possible substrate-induced anisotropies in the diffusive motions are also investigated.<br /> | - |
| dc.description | Fil: Rodriguez, Javier. Comisión Nacional de Energía Atómica; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Núcleo de Investigación en Educacion Ciencia y Tecnologia; Argentina | - |
| dc.description | Fil: Elola, Maria Dolores. Comisión Nacional de Energía Atómica; Argentina | - |
| dc.description | Fil: Laria, Daniel Hector. Comisión Nacional de Energía Atómica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | American Chemical Society | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jp508913w | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/jp508913w | - |
| dc.rights | info:eu-repo/semantics/restrictedAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | - |
| dc.source | reponame:CONICET Digital (CONICET) | - |
| dc.source | instname:Consejo Nacional de Investigaciones Científicas y Técnicas | - |
| dc.source | instacron:CONICET | - |
| dc.source.uri | http://hdl.handle.net/11336/42263 | - |
| dc.subject | MOLECULAR DYNAMICS | - |
| dc.subject | IMIDAZOLE MONOLAYER | - |
| dc.subject | GRAPHITE SHEET | - |
| dc.subject | Otras Ciencias Químicas | - |
| dc.subject | Ciencias Químicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | Equilibrium and dynamical characteristics of Imidazole Langmuir monolayers on graphite sheets | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| dc.type | info:ar-repo/semantics/articulo | - |
| Aparece en las colecciones: | CONICET | |
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