Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set

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 hydroge...

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Detalles Bibliográficos
Autores principales: Facelli, Julio César, Contreras, Rubén Horacio
Publicado: 1980
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09320784_v35_n12_p1350_Facelli
http://hdl.handle.net/20.500.12110/paper_09320784_v35_n12_p1350_Facelli
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling paper:paper_09320784_v35_n12_p1350_Facelli2023-06-08T15:53:09Z Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set Facelli, Julio César Contreras, Rubén Horacio 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. Fil:Facelli, J.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Contreras, R.H. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 1980 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09320784_v35_n12_p1350_Facelli http://hdl.handle.net/20.500.12110/paper_09320784_v35_n12_p1350_Facelli
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description 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.
author Facelli, Julio César
Contreras, Rubén Horacio
spellingShingle Facelli, Julio César
Contreras, Rubén Horacio
Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set
author_facet Facelli, Julio César
Contreras, Rubén Horacio
author_sort Facelli, Julio César
title Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set
title_short Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set
title_full Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set
title_fullStr Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set
title_full_unstemmed Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set
title_sort population analysis with hydrogen 2 p polarization functions included in the indo basis set
publishDate 1980
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09320784_v35_n12_p1350_Facelli
http://hdl.handle.net/20.500.12110/paper_09320784_v35_n12_p1350_Facelli
work_keys_str_mv AT facellijuliocesar populationanalysiswithhydrogen2ppolarizationfunctionsincludedintheindobasisset
AT contrerasrubenhoracio populationanalysiswithhydrogen2ppolarizationfunctionsincludedintheindobasisset
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