A MOLECULAR MODEL POTENTIAL STUDY OF MOLECULAR WIRES: I SIMPLE LINEAR CHAIN

A MOLECULAR MODEL POTENTIAL STUDY OF MOLECULAR WIRES: I SIMPLE LINEAR CHAIN

We study the electron density profiles and some electronic properties such as the gap Homo-Lumo, in a model molecular wire consisting of a simple linear crystal composed of identical atoms. The valence electrons move in a model potential constructed by combining atomic spherical potential energy box...

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Autores principales: HERRERA S,CARMEN, LETELIER D,RICARDO
Lenguaje:English
Publicado: Sociedad Chilena de Química 2007
Materias:
Model Potentials
Molecular Wire
Acceso en línea:http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072007000100013
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spelling oai:scielo:S0717-970720070001000132007-05-07A MOLECULAR MODEL POTENTIAL STUDY OF MOLECULAR WIRES: I SIMPLE LINEAR CHAINHERRERA S,CARMENLETELIER D,RICARDO Model Potentials Molecular Wire We study the electron density profiles and some electronic properties such as the gap Homo-Lumo, in a model molecular wire consisting of a simple linear crystal composed of identical atoms. The valence electrons move in a model potential constructed by combining atomic spherical potential energy boxes corresponding to each atom and the effect of some asymmetric crystal vibrations on the electron density distribution is also analyzed for these model molecular wiresinfo:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.52 n.1 20072007-03-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072007000100013en10.4067/S0717-97072007000100013
institution Scielo Chile
collection Scielo Chile
language English
topic Model Potentials
Molecular Wire
spellingShingle Model Potentials
Molecular Wire
HERRERA S,CARMEN
LETELIER D,RICARDO
A MOLECULAR MODEL POTENTIAL STUDY OF MOLECULAR WIRES: I SIMPLE LINEAR CHAIN
description We study the electron density profiles and some electronic properties such as the gap Homo-Lumo, in a model molecular wire consisting of a simple linear crystal composed of identical atoms. The valence electrons move in a model potential constructed by combining atomic spherical potential energy boxes corresponding to each atom and the effect of some asymmetric crystal vibrations on the electron density distribution is also analyzed for these model molecular wires
author HERRERA S,CARMEN
LETELIER D,RICARDO
author_facet HERRERA S,CARMEN
LETELIER D,RICARDO
author_sort HERRERA S,CARMEN
title A MOLECULAR MODEL POTENTIAL STUDY OF MOLECULAR WIRES: I SIMPLE LINEAR CHAIN
title_short A MOLECULAR MODEL POTENTIAL STUDY OF MOLECULAR WIRES: I SIMPLE LINEAR CHAIN
title_full A MOLECULAR MODEL POTENTIAL STUDY OF MOLECULAR WIRES: I SIMPLE LINEAR CHAIN
title_fullStr A MOLECULAR MODEL POTENTIAL STUDY OF MOLECULAR WIRES: I SIMPLE LINEAR CHAIN
title_full_unstemmed A MOLECULAR MODEL POTENTIAL STUDY OF MOLECULAR WIRES: I SIMPLE LINEAR CHAIN
title_sort molecular model potential study of molecular wires: i simple linear chain
publisher Sociedad Chilena de Química
publishDate 2007
url http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072007000100013
work_keys_str_mv AT herrerascarmen amolecularmodelpotentialstudyofmolecularwiresisimplelinearchain
AT letelierdricardo amolecularmodelpotentialstudyofmolecularwiresisimplelinearchain
AT herrerascarmen molecularmodelpotentialstudyofmolecularwiresisimplelinearchain
AT letelierdricardo molecularmodelpotentialstudyofmolecularwiresisimplelinearchain
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