The role of aromaticity in the planarity of lumiflavin

Ab initio MP2/6-31G(d,p) and density functional theory B3LYP/6-31G(d,p) calculations were performed to investigate the molecular structure of the active part of flavins in the oxidized and reduced forms, using lumiflavin as a model compound. The possible aromatic character of these systems was explo...

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Bibliographic Details
Published in:The Journal of organic chemistry, Vol. 67, No. 18 (2002), p. 6347-52
Main Author: Rodríguez-Otero, Jesús
Other Involved Persons: Martínez-Núñez, Emilio ; Peña-Gallego, Angeles ; Vázquez, Saulo A
Format: Article
Language:English
ISSN:1520-6904
Item Description:Date Completed 04.04.2003
Date Revised 10.07.2019
published: Print
Citation Status MEDLINE
Copyright: From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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