Modulating the electronic structure of amino acids: interaction of model lewis acids with anthranilic acid

On the basis of theoretical B3LYP calculations, Yáñez and co-workers (J. Chem. Theory Comput. 2012, 8, 2293) illustrated that beryllium ions are capable of significantly modulating (changing) the electronic structures of imidazole. In this computational organic chemistry study, the interaction of th...

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Bibliographic Details
Main Author: Tareq Irshaidat
Format: Article
Language:English
Published: Sociedade Brasileira de Química 2014-01-01
Series:Química Nova
Subjects:
NBO
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000900004&lng=en&tlng=en