Use este identificador para citar ou linkar para este item: https://repositorio.ufms.br/handle/123456789/5248
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Campo DCValorIdioma
dc.creatorFatiha, Madi-
dc.creatorDjameleddine, Khatmi-
dc.creatorLeila, largate-
dc.date.accessioned2022-10-19T18:01:43Z-
dc.date.available2022-10-19T18:01:43Z-
dc.date.issued2009-02-15-
dc.identifier.issn1984-6428pt_BR
dc.identifier.urihttps://repositorio.ufms.br/handle/123456789/5248-
dc.description.abstractAM1 and PM3 methods were applied to investigate equilibrium geometries of inclusion complexes formed between β-CD and neutral, anionic and cationic species of PABA (Para amino benzoic acid). β-CD can bind to these three species (two possible orientations A or B) with negative binding energy, where the preference between A and B orientation of each PABA species is due to H-bond interaction. Finally, the HOMO and LUMO energies of each complex were calculated and compared.pt_BR
dc.languageengpt_BR
dc.publisherFundação Universidade Federal de Mato Grosso do Sulpt_BR
dc.relation.ispartofOrbital: The Electronic Journal of Chemistrypt_BR
dc.rightsAcesso Abertopt_BR
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Brazil*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/br/*
dc.subjectAminoácidospt_BR
dc.subjectCiclodextrinaspt_BR
dc.subjectDNApt_BR
dc.subjectÁcido Benzoicopt_BR
dc.subjectAmino Acidspt_BR
dc.subjectBenzoic Acidpt_BR
dc.subjectCyclodextrinspt_BR
dc.titleMolecular modeling study of para amino benzoic acids recognition by β-cyclodextrinpt_BR
dc.typeArtigo de Periódicopt_BR
dc.citation.volume1pt_BR
dc.citation.issue1pt_BR
dc.citation.spage26pt_BR
dc.citation.epage37pt_BR
dc.publisher.countryBrasilpt_BR
dc.publisher.initialsUFMSpt_BR
dc.subject.cnpqCNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICApt_BR
Aparece nas coleções:Orbital: The Electronic Journal of Chemistry

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