Lattice-Energy Calculations on Organometallic Compounds

Sanz Aparicio, J.; Martínez Carrera, S.; García Blanco, S.; Conde Amiano, Alejandro

doi:10.1107/S0108768188001053

Artículo

dc.creator	Sanz Aparicio, J.	es
dc.creator	Martínez Carrera, S.	es
dc.creator	García Blanco, S.	es
dc.creator	Conde Amiano, Alejandro	es
dc.date.accessioned	2017-12-11T17:42:14Z
dc.date.available	2017-12-11T17:42:14Z
dc.date.issued	1988
dc.identifier.citation	Sanz Aparicio, J., Martínez Carrera, S., García Blanco, S. y Conde Amiano, A. (1988). Lattice-Energy Calculations on Organometallic Compounds. Acta crystallographica section b-structural science, 44, 259-262.
dc.identifier.issn	0108-7681	es
dc.identifier.uri	http://hdl.handle.net/11441/67452
dc.description.abstract	Lattice-energy calculations in the atom-atom approach have been performed for five organometallic com pounds of previously determined crystal structure. Minimization of energy in terms of positional, orienta tional, torsional and cell parameters gave satisfactory results. Computation of energy as a function of torsion angle gave two-dimensional cross sections which o108-7681/88/030259-04$03.00 present minimum-energy conformations at maximum deviations of 10° from the experimental conforma tions.	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, 44, 259-262.
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 Organometallic Compounds	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/S0108768188001053	es
dc.identifier.doi	10.1107/S0108768188001053	es
idus.format.extent	4 p.	es
dc.journaltitle	Acta crystallographica section b-structural science	es
dc.publication.volumen	44	es
dc.publication.initialPage	259	es
dc.publication.endPage	262	es

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