Artículo
Facelli, J.C.; Contreras, R.H. "Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set" (1980) Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences. 35(12):1350-1353
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Abstract:
Mulliken population analysis with 2p polarization functions included in the AO basis set of the INDO method has been performed for a set of molecules containing hydrogen as well as first row atoms. It is found that this enlargement of the basis set yields an increasing electron population in hydrogen atoms, in agreement with trends found in “initio” methods. © 1980, Walter de Gruyter. All rights reserved.
Registro:
| Documento: | Artículo |
| Título: | Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set |
| Autor: | Facelli, J.C.; Contreras, R.H. |
| Filiación: | Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Argentina |
| Año: | 1980 |
| Volumen: | 35 |
| Número: | 12 |
| Página de inicio: | 1350 |
| Página de fin: | 1353 |
| DOI: | http://dx.doi.org/10.1515/zna-1980-1215 |
| Título revista: | Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences |
| Título revista abreviado: | Z. Naturforsch. Sect. A J. Phys. Sci. |
| ISSN: | 09320784 |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09320784_v35_n12_p1350_Facelli |
Referencias:
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Citas:
---------- APA ----------
Facelli, J.C. & Contreras, R.H. (1980) . Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set. Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences, 35(12), 1350-1353.http://dx.doi.org/10.1515/zna-1980-1215
---------- CHICAGO ----------
Facelli, J.C., Contreras, R.H. "Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set" . Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences 35, no. 12 (1980) : 1350-1353.http://dx.doi.org/10.1515/zna-1980-1215
---------- MLA ----------
Facelli, J.C., Contreras, R.H. "Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set" . Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences, vol. 35, no. 12, 1980, pp. 1350-1353.http://dx.doi.org/10.1515/zna-1980-1215
---------- VANCOUVER ----------
Facelli, J.C., Contreras, R.H. Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set. Z. Naturforsch. Sect. A J. Phys. Sci. 1980;35(12):1350-1353.http://dx.doi.org/10.1515/zna-1980-1215
