Mostrar el registro sencillo del ítem
dc.contributor.author
Lobayan, Rosana Maria
dc.contributor.author
Bochicchio, Roberto Carlos
dc.date.available
2018-05-03T18:30:28Z
dc.date.issued
2015-06
dc.identifier.citation
Lobayan, Rosana Maria; Bochicchio, Roberto Carlos; Do Organo-Metallic CH4-Me+p Adducts and X4H+ (X=P, As) Clusters Undergo Two-Electron Three-Center Interactions? Some Aspects of Discussion; American Chemical Society; Journal of Physical Chemistry A; 119; 27; 6-2015; 7000-7012
dc.identifier.issn
1089-5639
dc.identifier.uri
http://hdl.handle.net/11336/44013
dc.description.abstract
Most of the systems possessing true two-electron three-center interactions are electron deficient compounds like boron hydrids, closo-boranes, and some organic ions such as butonium cations. In this work, we perform a detailed study of theelectron distribution for two different types of systems to which likewise interactions has been adjudicated: organometallic CH4−Me(+p) (p = 1, 2) adducts with Me, alkaline and earth alkaline metallic ions of Li, Na, K, Be, Mg, Ca in their stable gaseous phase and X4H+ (X = P, As) simple clusters. For this purpose, topological analysis of the electron density decomposed into its effectively paired and unpaired contributions has been carried out looking for complex interactions.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Chemical Society
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Density Matrix
dc.subject
Correlation Effects
dc.subject
Two-Electron Three-Center Interactions
dc.subject.classification
Astronomía
dc.subject.classification
Ciencias Físicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.title
Do Organo-Metallic CH4-Me+p Adducts and X4H+ (X=P, As) Clusters Undergo Two-Electron Three-Center Interactions? Some Aspects of Discussion
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-04-27T18:51:07Z
dc.journal.volume
119
dc.journal.number
27
dc.journal.pagination
7000-7012
dc.journal.pais
Estados Unidos
dc.journal.ciudad
Washington
dc.description.fil
Fil: Lobayan, Rosana Maria. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas y Naturales y Agrimensura; Argentina
dc.description.fil
Fil: Bochicchio, Roberto Carlos. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina
dc.journal.title
Journal of Physical Chemistry A
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acs.jpca.5b03267
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/abs/10.1021/acs.jpca.5b03267
Archivos asociados