Evaluation of density functional theory methods for the electronic interactions between indole and substituted benzene: Applications to horseradish peroxidase

International Journal of Quantum Chemistry

Volumn 107, Issue 6, 2007, Pages 1523-1531

  Van Sickle, Karina ^a   Culberson, Lori Marie ^a   Holzmacher, Jeremy Levin ^a   Cafiero, Mauricio ^a  

^a RHODES COLLEGE   (United States)

Author keywords

Benzene; DFT; Dispersion; Indole; MP2

Indexed keywords

DISPERSION INTERACTIONS; ELECTRONIC INTERACTIONS; HORSERADISH PEROXIDASE; INDOLE;

BENZENE; DENSITY FUNCTIONAL THEORY; DISPERSIONS; ELECTROSTATICS; ENZYME KINETICS; LIGANDS; NITROGEN COMPOUNDS; SUBSTITUTION REACTIONS;

PROTEINS;

EID: 33947583862     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21289     Document Type: Article

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