Lattice-Energy Calculations on Phenothiazine and Phenoselenazine Modifications

Estrada de Oya, María Dolores; Conde Amiano, Alejandro; Márquez Delgado, Rafael

doi:10.1107/S010876818300333X

Article

dc.creator	Estrada de Oya, María Dolores	es
dc.creator	Conde Amiano, Alejandro	es
dc.creator	Márquez Delgado, Rafael	es
dc.date.accessioned	2017-12-15T14:43:23Z
dc.date.available	2017-12-15T14:43:23Z
dc.date.issued	1983
dc.identifier.citation	Estrada de Oya, M.D., Conde Amiano, A. y Márquez, R. (1983). Lattice-Energy Calculations on Phenothiazine and Phenoselenazine Modifications. Acta crystallographica. Section B, Structural science, 39 (DEC), 739-742.
dc.identifier.issn	0108-7681	es
dc.identifier.uri	http://hdl.handle.net/11441/67705
dc.description.abstract	Lattice-energy calculations in the atom-atom potential approach have been performed for observed and isostructurally derived hypothetical forms of phenothiazine and phenoselenazine compounds. Energy minimizations with respect to cell constants and molecular rigid-body coordinates lead to absolute minima of energy surfaces in all cases. The experimental values of cell constants for the three observed structures are reproduced to better than 5% and the shifts of positional and orientational molecular parameters are lower than 0.1 A and 2 °, respectively	es
dc.format	application/pdf	es
dc.language.iso	eng	es
dc.publisher	International Union of Crystallography	es
dc.relation.ispartof	Acta crystallographica. Section B, Structural science, 39 (DEC), 739-742.
dc.rights	Attribution-NonCommercial-NoDerivatives 4.0 Internacional	*
dc.rights.uri	http://creativecommons.org/licenses/by-nc-nd/4.0/	*
dc.title	Lattice-Energy Calculations on Phenothiazine and Phenoselenazine Modifications	es
dc.type	info:eu-repo/semantics/article	es
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/S010876818300333X	es
dc.identifier.doi	10.1107/S010876818300333X	es
idus.format.extent	4 p.	es
dc.journaltitle	Acta crystallographica. Section B, Structural science	es
dc.publication.volumen	39	es
dc.publication.issue	DEC	es
dc.publication.initialPage	739	es
dc.publication.endPage	742	es

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