Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5390113 | Chemical Physics Letters | 2006 | 6 Pages |
Abstract
QTAIM atomic and bond properties as well as delocalization indices computed on B3LYP/6-311++(2d, 2p) and MP2/6-31++G(d, p) electron densities are employed to explain the protonation preference of indole for C3 site.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Nicolás Otero, MarÃa J. González Moa, Marcos Mandado, Ricardo A. Mosquera,