Please use this identifier to cite or link to this item:
Files in This Item:
File Description SizeFormat 
Análise conformacional de modelos de lignina.pdf259.68 kBAdobe PDFThumbnail
Type: Artigo de Periódico
Title: Análise conformacional de modelos de lignina
Other Titles: Conformational analysis of lignin models
Author: Santos, Hélio Ferreira dos
Resumo: -
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.
Keywords: Lignin models
Conformational analysis
Solvent effect
Semiempirical methods
CNPq: -
Language: por
Country: Brasil
Publisher: -
Institution Initials: -
Access Type: Acesso Aberto
Issue Date: Aug-2001
Appears in Collections:Artigos de Periódicos

Items in DSpace are protected by Creative Commons licenses, with all rights reserved, unless otherwise indicated.