Análise conformacional de modelos de lignina

Santos, Hélio Ferreira dos

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DC Field	Value	Language
dc.creator	Santos, Hélio Ferreira dos	-
dc.date.accessioned	2019-02-22T12:33:45Z	-
dc.date.available	2019-02-20	-
dc.date.available	2019-02-22T12:33:45Z	-
dc.date.issued	2001-08	-
dc.citation.volume	24	pt_BR
dc.citation.issue	4	pt_BR
dc.citation.spage	480	pt_BR
dc.citation.epage	490	pt_BR
dc.identifier.doi	http://dx.doi.org/10.1590/S0100-40422001000400009	pt_BR
dc.identifier.uri	https://repositorio.ufjf.br/jspui/handle/ufjf/9135	-
dc.description.abstract	The conformational equilibrium for two 5,5' biphenyl lignin models have been analyzed using a quantum mechanical semiempirical method. The gas phase and solution structures are discussed based on the NMR and X-ray experimental data. The results obtained showed that the observed conformations are solvent-dependent, being the geometries and the thermodynamic properties correlated with the experimental information. This study shows how a systematic theoretical conformational analysis can help to understand chemical processes at a molecular level.	pt_BR
dc.description.resumo	-	pt_BR
dc.language	por	pt_BR
dc.publisher	-	pt_BR
dc.publisher.country	Brasil	pt_BR
dc.publisher.initials	-	pt_BR
dc.relation.ispartof	Química Nova	pt_BR
dc.rights	Acesso Aberto	pt_BR
dc.subject	Lignin models	pt_BR
dc.subject	Conformational analysis	pt_BR
dc.subject	Solvent effect	pt_BR
dc.subject	Semiempirical methods	pt_BR
dc.subject.cnpq	-	pt_BR
dc.title	Análise conformacional de modelos de lignina	pt_BR
dc.title.alternative	Conformational analysis of lignin models	pt_BR
dc.type	Artigo de Periódico	pt_BR
Appears in Collections:	Artigos de Periódicos

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