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| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.provenance | Facultad de Ciencias Exactas y Naturales de la UBA | - |
| dc.contributor | <div class="autor_fcen" id="9335">Zitto, M.E.</div> | - |
| dc.contributor | <div class="autor_fcen" id="1469">Caputo, M.C.</div> | - |
| dc.contributor | <div class="autor_fcen" id="3115">Ferraro, M.B.</div> | - |
| dc.contributor | Lazzeretti, P. | - |
| dc.creator | <div class="autor_fcen" id="9335">Zitto, M.E.</div> | - |
| dc.creator | <div class="autor_fcen" id="1469">Caputo, M.C.</div> | - |
| dc.creator | <div class="autor_fcen" id="3115">Ferraro, M.B.</div> | - |
| dc.creator | Lazzeretti, P. | - |
| dc.date.accessioned | 2018-05-04T22:02:25Z | - |
| dc.date.accessioned | 2018-05-28T15:47:46Z | - |
| dc.date.available | 2018-05-04T22:02:25Z | - |
| dc.date.available | 2018-05-28T15:47:46Z | - |
| dc.date.issued | 2001 | - |
| dc.identifier.uri | http://10.0.0.11:8080/jspui/handle/bnmm/68352 | - |
| dc.description | The resolution of molecular electric dipole polarizabilities into atomic contributions was studied in the context of methyl and ethyl derivatives, CH3-X and CH3-CH2-X. The reliability of the partitioning schemes allowing for adhoc quantum chemical tools was also tested. Results depicted a good degree of the transferability from molecule to molecule as shown by the evaluation of gross atomic isotropic contributions for carbon, hydrogen, and heteroatoms. | - |
| dc.description | Fil:Zitto, M.E. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. | - |
| dc.description | Fil:Caputo, M.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. | - |
| dc.description | Fil:Ferraro, M.B. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.rights | info:eu-repo/semantics/openAccess | - |
| dc.rights | http://creativecommons.org/licenses/by/2.5/ar | - |
| dc.source | J Chem Phys 2001;114(9):4053-4057 | - |
| dc.source.uri | http://digital.bl.fcen.uba.ar/Download/paper/paper_00219606_v114_n9_p4053_Zitto.pdf | - |
| dc.subject | Atoms | - |
| dc.subject | Computational methods | - |
| dc.subject | Derivatives | - |
| dc.subject | Polarization | - |
| dc.subject | Substitution reactions | - |
| dc.subject | Electric dipole | - |
| dc.subject | Molecular polarizabilities | - |
| dc.subject | Molecular dynamicsPB - American Inst of PhysicsCP - Woodbury, NY, United States | - |
| dc.title | Resolution of molecular polarizabilities of CH3-X and CH3-CH2-X derivatives into atomic terms | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:ar-repo/semantics/artículo | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| Aparece en las colecciones: | FCEN - Facultad de Ciencias Exactas y Naturales. UBA | |
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