dc.creator | Alonso, J. | es |
dc.creator | Bermejo, F. J. | es |
dc.creator | García Hernández, M. | es |
dc.creator | García Martínez, J. L. | es |
dc.creator | Howells, W. S. | es |
dc.creator | Criado Vega, Alberto | es |
dc.date.accessioned | 2022-06-07T10:44:26Z | |
dc.date.available | 2022-06-07T10:44:26Z | |
dc.date.issued | 1992 | |
dc.identifier.citation | Alonso, J., Bermejo, F.J., García Hernández, M., García Martínez, J.L., Howells, W.S. y Criado Vega, A. (1992). Collective excitations in liquid methanol: A comparison of molecular, lattice-dynamics, and neutron-scattering results. The Journal of Chemical Physics, 96 (10), 7696-7709. | |
dc.identifier.issn | 1089-7690 | es |
dc.identifier.issn | 0021-9606 | es |
dc.identifier.uri | https://hdl.handle.net/11441/134140 | |
dc.description.abstract | The collective dynamics of liquid methanol‐d4 is studied by means of molecular‐dynamics simulation. The model potential is validated by means of lattice energy calculations and shows a very good agreement with the experimentally obtained crystal structure. Center‐of‐mass density and momentum fluctuations are investigated in the (Q,ω) region which is also accessible to inelastic neutron‐scattering (INS) techniques. A simple viscoelastic model previously used for the analysis of INS data is tested against the dynamic structure factor computed from the simulation. A direct comparison with the INS results themselves is also made and qualitative agreement is found. Also, a tentative assignment of the peaks appearing in the current–current correlations is made on the basis of lattice‐dynamics calculations for the polycrystalline low‐temperature α phase. | es |
dc.description.sponsorship | Dirección General de Investigación Científica y Técnica de España (DGICYT). PB89-0037-C03 | es |
dc.format | application/pdf | es |
dc.format.extent | 15 p. | es |
dc.language.iso | eng | es |
dc.publisher | American Institute of Physics | es |
dc.relation.ispartof | The Journal of Chemical Physics, 96 (10), 7696-7709. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.title | Collective excitations in liquid methanol: A comparison of molecular, lattice-dynamics, and neutron-scattering results | es |
dc.type | info:eu-repo/semantics/article | es |
dcterms.identifier | https://ror.org/03yxnpp24 | |
dc.type.version | info:eu-repo/semantics/publishedVersion | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Física de la Materia Condensada | es |
dc.relation.projectID | PB89-0037-C03 | es |
dc.relation.publisherversion | https://doi.org/10.1063/1.462370 | es |
dc.identifier.doi | 10.1063/1.462370 | es |
dc.journaltitle | The Journal of Chemical Physics | es |
dc.publication.volumen | 96 | es |
dc.publication.issue | 10 | es |
dc.publication.initialPage | 7696 | es |
dc.publication.endPage | 7709 | es |
dc.contributor.funder | Dirección General de Investigación Científica y Técnica (DGICYT). España | es |