Spurious Phosphorus Pyramidalization Induced by Some DFT Functionals

Detalhes bibliográficos
Autor(a) principal: Pupim,Carina F.
Data de Publicação: 2015
Outros Autores: Morgon,Nelson H., Lopez-Castillo,Alejandro
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Journal of the Brazilian Chemical Society (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532015000801648
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spelling Spurious Phosphorus Pyramidalization Induced by Some DFT FunctionalsDFTXC functionalsphosphorus pyramidalizationSociedade Brasileira de Química2015-08-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532015000801648Journal of the Brazilian Chemical Society v.26 n.8 2015reponame:Journal of the Brazilian Chemical Society (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.5935/0103-5053.20150138info:eu-repo/semantics/openAccessPupim,Carina F.Morgon,Nelson H.Lopez-Castillo,Alejandroeng2015-08-18T00:00:00Zoai:scielo:S0103-50532015000801648Revistahttp://jbcs.sbq.org.brONGhttps://old.scielo.br/oai/scielo-oai.php||office@jbcs.sbq.org.br1678-47900103-5053opendoar:2015-08-18T00:00Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Spurious Phosphorus Pyramidalization Induced by Some DFT Functionals
title Spurious Phosphorus Pyramidalization Induced by Some DFT Functionals
spellingShingle Spurious Phosphorus Pyramidalization Induced by Some DFT Functionals
Pupim,Carina F.
DFT
XC functionals
phosphorus pyramidalization
title_short Spurious Phosphorus Pyramidalization Induced by Some DFT Functionals
title_full Spurious Phosphorus Pyramidalization Induced by Some DFT Functionals
title_fullStr Spurious Phosphorus Pyramidalization Induced by Some DFT Functionals
title_full_unstemmed Spurious Phosphorus Pyramidalization Induced by Some DFT Functionals
title_sort Spurious Phosphorus Pyramidalization Induced by Some DFT Functionals
author Pupim,Carina F.
author_facet Pupim,Carina F.
Morgon,Nelson H.
Lopez-Castillo,Alejandro
author_role author
author2 Morgon,Nelson H.
Lopez-Castillo,Alejandro
author2_role author
author
dc.contributor.author.fl_str_mv Pupim,Carina F.
Morgon,Nelson H.
Lopez-Castillo,Alejandro
dc.subject.por.fl_str_mv DFT
XC functionals
phosphorus pyramidalization
topic DFT
XC functionals
phosphorus pyramidalization
publishDate 2015
dc.date.none.fl_str_mv 2015-08-01
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=S0103-50532015000801648
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532015000801648
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.5935/0103-5053.20150138
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 Journal of the Brazilian Chemical Society v.26 n.8 2015
reponame:Journal of the Brazilian Chemical Society (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
instacron_str SBQ
institution SBQ
reponame_str Journal of the Brazilian Chemical Society (Online)
collection Journal of the Brazilian Chemical Society (Online)
repository.name.fl_str_mv Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv ||office@jbcs.sbq.org.br
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