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Artículo
Lattice Dynamics and Thermal Crystallographic Parameters in Phenothiazine
dc.creator | Criado Vega, Alberto | es |
dc.creator | Conde Amiano, Alejandro | es |
dc.creator | Márquez Delgado, Rafael | es |
dc.date.accessioned | 2017-12-14T16:18:49Z | |
dc.date.available | 2017-12-14T16:18:49Z | |
dc.date.issued | 1984 | |
dc.identifier.citation | Criado Vega, A., Conde Amiano, A. y Márquez, R. (1984). Lattice Dynamics and Thermal Crystallographic Parameters in Phenothiazine. Acta crystallographica. Section A, 40 (NOV), 696-701. | |
dc.identifier.issn | 0108-7673 | es |
dc.identifier.uri | http://hdl.handle.net/11441/67629 | |
dc.description.abstract | A computer program has been developed to study the lattice dynamics of molecular crystals in the harmonic approximation with the external Born-yon KS.rm~n formalism and an atom-atom potential function. Dispersion curves are obtained for monoclinic phenothiazine together with frequency distribution functions and external mode contribution to thermodynamic functions. Lattice dynamical T, L and S rigid-body tensors are obtained and individual thermal tensors are compared with experiment. The disagreement with respect to experimental results is of the same order as the disagreement with a Schomaker-Trueblood fit of experimental data. | es |
dc.format | application/pdf | es |
dc.language.iso | eng | es |
dc.publisher | International Union of Crystallography | es |
dc.relation.ispartof | Acta crystallographica. Section A, 40 (NOV), 696-701. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.title | Lattice Dynamics and Thermal Crystallographic Parameters in Phenothiazine | 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.publisherversion | http://dx.doi.org/10.1107/S0108767384001422 | es |
dc.identifier.doi | 10.1107/S0108767384001422 | es |
idus.format.extent | 6 p. | es |
dc.journaltitle | Acta crystallographica. Section A | es |
dc.publication.volumen | 40 | es |
dc.publication.issue | NOV | es |
dc.publication.initialPage | 696 | es |
dc.publication.endPage | 701 | es |
Ficheros | Tamaño | Formato | Ver | Descripción |
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Lattice Dynamics and Thermal ... | 676.8Kb | [PDF] | Ver/ | |