Registro completo de metadatos
| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.creator | Lobayan, Rosana Maria | - |
| dc.creator | Bochicchio, Roberto Carlos | - |
| dc.creator | Lain, Luis | - |
| dc.creator | Torres, Alicia Ines | - |
| dc.date | 2018-11-20T17:11:24Z | - |
| dc.date | 2018-11-20T17:11:24Z | - |
| dc.date | 2007-12 | - |
| dc.date | 2018-10-12T18:35:51Z | - |
| dc.date.accessioned | 2019-04-29T15:52:46Z | - |
| dc.date.available | 2019-04-29T15:52:46Z | - |
| dc.date.issued | 2007-12 | - |
| dc.identifier | Lobayan, Rosana Maria; Bochicchio, Roberto Carlos; Lain, Luis; Torres, Alicia Ines; Laplacian field of the effectively unpaired electron density: Determination of many-body effects on electron distributions; American Chemical Society; Journal of Physical Chemistry A; 111; 16; 12-2007; 3166-3172 | - |
| dc.identifier | 1089-5639 | - |
| dc.identifier | http://hdl.handle.net/11336/64743 | - |
| dc.identifier | CONICET Digital | - |
| dc.identifier | CONICET | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/304440 | - |
| dc.description | This work carries out the study of the Laplacian field function of the electron density L(r) = -∇2ρ(r) splitted in two contributions ρ(r) = ρ(p)(r) + ρ(u)(r), which correspond to the effectively paired and effectively unpaired electron densities, respectively. The visualization of the concentration and depletion of these fields and their spatial localization show no contribution of the effectively unpaired electrons to the conventional bonding among two centers, but the field -∇2ρ(u)(r) provides an interesting structure. We also study the reliability of the information contained in the partitioning of this electron density field function for describing nonclassical bondings as the three-center two-electron ones. © 2007 American Chemical Society. | - |
| dc.description | Fil: Lobayan, Rosana Maria. Facultad de Ingeniería, Universidad de la Cuenca del Plata, Corrientes, Argentina,; Argentina | - |
| dc.description | 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.description | Fil: Lain, Luis. Departamento de Química Física, Facultad de Ciencias, Universidad del País Vasco, España; Argentina | - |
| dc.description | Fil: Torres, Alicia Ines. Departamento de Química Física, Facultad de Ciencias, Universidad del País Vasco, España; Argentina | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | American Chemical Society | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/jp0681101 | - |
| dc.rights | info:eu-repo/semantics/restrictedAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | - |
| dc.source | reponame:CONICET Digital (CONICET) | - |
| dc.source | instname:Consejo Nacional de Investigaciones Científicas y Técnicas | - |
| dc.source | instacron:CONICET | - |
| dc.subject | Fisicoquímica, Estructura Molecular | - |
| dc.subject | Astronomía | - |
| dc.subject | Ciencias Físicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | Laplacian field of the effectively unpaired electron density: Determination of many-body effects on electron distributions | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| dc.type | info:ar-repo/semantics/articulo | - |
| Aparece en las colecciones: | CONICET | |
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