Íon Be H+ em campo elétrico uniforme intenso

Detalhes bibliográficos
Autor(a) principal: Righi,Assis Francisco Moro
Data de Publicação: 1999
Outros Autores: Kuhnen,Carlos Alberto
Tipo de documento: Artigo
Idioma: por
Título da fonte: Química Nova (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421999000300006
Resumo: The influence of a strong external electric field in chemical bonding is not extensively studied. In this work, the behavior of the potential energy curves of the BeH+ ion in an external electric field is investigated by means of variational calculations using molecular orbitals. For simplicity we consider the case where the external field is parallel to the molecular axis, in the direction of the dipole moment, which raises the polarization of the ion. The effects on dissociation are investigated.
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spelling Íon Be H+ em campo elétrico uniforme intensototal energyslater exponentselétric fielddipole momentThe influence of a strong external electric field in chemical bonding is not extensively studied. In this work, the behavior of the potential energy curves of the BeH+ ion in an external electric field is investigated by means of variational calculations using molecular orbitals. For simplicity we consider the case where the external field is parallel to the molecular axis, in the direction of the dipole moment, which raises the polarization of the ion. The effects on dissociation are investigated.Sociedade Brasileira de Química1999-06-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421999000300006Química Nova v.22 n.3 1999reponame:Química Nova (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.1590/S0100-40421999000300006info:eu-repo/semantics/openAccessRighi,Assis Francisco MoroKuhnen,Carlos Albertopor2000-05-03T00:00:00Zoai:scielo:S0100-40421999000300006Revistahttps://www.scielo.br/j/qn/ONGhttps://old.scielo.br/oai/scielo-oai.phpquimicanova@sbq.org.br1678-70640100-4042opendoar:2000-05-03T00:00Química Nova (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Íon Be H+ em campo elétrico uniforme intenso
title Íon Be H+ em campo elétrico uniforme intenso
spellingShingle Íon Be H+ em campo elétrico uniforme intenso
Righi,Assis Francisco Moro
total energy
slater exponents
elétric field
dipole moment
title_short Íon Be H+ em campo elétrico uniforme intenso
title_full Íon Be H+ em campo elétrico uniforme intenso
title_fullStr Íon Be H+ em campo elétrico uniforme intenso
title_full_unstemmed Íon Be H+ em campo elétrico uniforme intenso
title_sort Íon Be H+ em campo elétrico uniforme intenso
author Righi,Assis Francisco Moro
author_facet Righi,Assis Francisco Moro
Kuhnen,Carlos Alberto
author_role author
author2 Kuhnen,Carlos Alberto
author2_role author
dc.contributor.author.fl_str_mv Righi,Assis Francisco Moro
Kuhnen,Carlos Alberto
dc.subject.por.fl_str_mv total energy
slater exponents
elétric field
dipole moment
topic total energy
slater exponents
elétric field
dipole moment
description The influence of a strong external electric field in chemical bonding is not extensively studied. In this work, the behavior of the potential energy curves of the BeH+ ion in an external electric field is investigated by means of variational calculations using molecular orbitals. For simplicity we consider the case where the external field is parallel to the molecular axis, in the direction of the dipole moment, which raises the polarization of the ion. The effects on dissociation are investigated.
publishDate 1999
dc.date.none.fl_str_mv 1999-06-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421999000300006
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421999000300006
dc.language.iso.fl_str_mv por
language por
dc.relation.none.fl_str_mv 10.1590/S0100-40421999000300006
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv Química Nova v.22 n.3 1999
reponame:Química Nova (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
instacron_str SBQ
institution SBQ
reponame_str Química Nova (Online)
collection Química Nova (Online)
repository.name.fl_str_mv Química Nova (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv quimicanova@sbq.org.br
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