Theoretical study of indole: Protonation, indolyl radical, tautomers of indole, and its interaction with water

Chemical Physics

Volumn 301, Issue 1, 2004, Pages 61-79

  Somers, K R F ^a   Kryachko, E S ^b,c   Ceulemans, A ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b BOGOLYUBOV INSTITUTE FOR THEORETICAL PHYSICS   (Ukraine)

^c UNIVERSITY OF LIÈGE   (Belgium)

Author keywords

31.15.Ar; 31.15.eW; 31.15.Md; 31.15.Ne; 31.25.Qm; 33.15.Bh; 33.15.Fm; 33.20.Ea; 33.20.Lg; Absorption; CASPT2; DFT; Hydrogen bond; Indole; IR; Theoretical

Indexed keywords

INDOLE DERIVATIVE; WATER;

ARTICLE; ELECTROCHEMISTRY; GEOMETRY; HYDROGEN BOND; HYDROGENATION; INFRARED SPECTROSCOPY; MOLECULAR INTERACTION; PHYSICAL CHEMISTRY; PROTON TRANSPORT; STRUCTURE ANALYSIS;

EID: 2342461776     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.02.010     Document Type: Article

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