Lattice Dynamics and Thermal Crystallographic Parameters in Phenothiazine

Criado Vega, Alberto; Conde Amiano, Alejandro; Márquez Delgado, Rafael

doi:10.1107/S0108767384001422

Artículo

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

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