Electronic spectra of indolyl radicals: A time-dependent DFT study

Neutral and cationic indolyl radicals, such as those arising from tryptophan and melatonin, are involved in a variety of physiological situations. Due to their short life times, experimental characterization of these species is incomplete. We have performed density functional theory (DFT) calculatio...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Crespo, Alejandro, Turjanski, Adrián Gustavo, Estrin, Dario Ariel
Publicado:	2002
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v365_n1-2_p15_Crespo http://hdl.handle.net/20.500.12110/paper_00092614_v365_n1-2_p15_Crespo
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

Ejemplares similares

Electronic spectra of indolyl radicals: A time-dependent DFT study
por: Crespo, A., et al.

Electronic spectra of indolyl radicals: A time-dependent DFT study
por: Crespo, A.
Publicado: (2002)

One-step preparation of novel 1-(N-indolyl)-1,3-butadienes by base-catalysed isomerization of alkynes as an access to 5-(N-indolyl)-naphthoquinones
por: Pis Diez, Cristian Manuel, et al.
Publicado: (2018)

Reactions of melatonin and related indoles with free radicals: A computational study
por: Turjanski, Adrián Gustavo, et al.
Publicado: (1998)

One-step preparation of novel 1-(: N -indolyl)-1,3-butadienes by base-catalysed isomerization of alkynes as an access to 5-(N -indolyl)-naphthoquinones
por: Pis Diez, C.M., et al.

One-step preparation of novel 1-(: N -indolyl)-1,3-butadienes by base-catalysed isomerization of alkynes as an access to 5-(N -indolyl)-naphthoquinones
Publicado: (2018)

DFT study on the reactivity of iron porphyrins tuned by ring substitution
por: Bikiel, Damian Ezequiel, et al.
Publicado: (2008)

Time-dependent induced potentials in convoy electron emission
por: Acuña, G.P., et al.

Time-dependent induced potentials in convoy electron emission
por: Miraglia, Jorge Esteban
Publicado: (2006)

Time-dependent induced potentials in convoy electron emission
por: Acuña, G.P
Publicado: (2006)

Study of geometries and electronic properties of AgSin clusters using DFT/TB
por: Ziella, D.H., et al.

Study of geometries and electronic properties of AgSin clusters using DFT/TB
Publicado: (2011)

Study of geometries and electronic properties of AgSin clusters using DFT/TB
por: Ziella, D.H
Publicado: (2011)

Free radicals as studied by electron spin resonance
por: Ingram, David John Edward
Publicado: (1958)

Electronic spectra and quantum chemistry /
por: Sandorfy, C.
Publicado: (1964)

Electronic spectra of molecules and ions
por: MacClure, Donald S.
Publicado: (1959)

Electronic spectra and quantum chemistry
por: Sandorfy, C.
Publicado: (1964)

DFT study of electronic structure of saccharin, thiosaccharin, and their respective ions: Effects of metal coordination on thiosaccharinate electronic structure
por: Contreras, Rubén Horacio
Publicado: (2002)

DFT study of electronic structure of saccharin, thiosaccharin, and their respective ions: Effects of metal coordination on thiosaccharinate electronic structure
por: Branda, María Marta
Publicado: (2002)

DFT study of electronic structure of saccharin, thiosaccharin, and their respective ions: Effects of metal coordination on thiosaccharinate electronic structure
por: Branda, M.M., et al.

Berkeley's theory of radical dependence /
por: Jennings, Gavan
Publicado: (2018)

The spectra and structures of simple free radicals : an introduction to melecular spectroscopy /
por: Herzberg, Gerhard
Publicado: (1971)

DFT study on the reactivity of iron porphyrins tuned by ring substitution
por: Bikiel, D.E., et al.

Time dependence of the aroma pattern emitted by an encapsulated essence studied by means of electronic noses and chemometric analysis
por: Rodriguez, S.D., et al.

Time dependence of the aroma pattern emitted by an encapsulated essence studied by means of electronic noses and chemometric analysis
Publicado: (2010)

Time dependence of the aroma pattern emitted by an encapsulated essence studied by means of electronic noses and chemometric analysis
por: Rodriguez, S.D
Publicado: (2010)

Solvent effects on glyphosate deprotonation: DFT theoretical studies
por: Albesa, Alberto Gustavo, et al.
Publicado: (2023)

Atlas of electron spin resonance spectra
por: Bielski, Benon H. J.
Publicado: (1967)

Molecular basis of intramolecular electron transfer in proteins during radical-mediated oxidations: Computer simulation studies in model tyrosine-cysteine peptides in solution
por: Petruk, Ariel Alcides, et al.
Publicado: (2012)

Pressure-dependence of alkyl radical reactions
por: Grotewold, J., et al.

Pressure-dependence of alkyl radical reactions
Publicado: (1966)

Pressure-dependence of alkyl radical reactions
por: Grotewold, J.
Publicado: (1966)

DFT-GIAO and DFT-NBO studies of the origin of 19F NMR shielding effects in alkyl fluorides
por: Adcock, W., et al.

DFT-GIAO and DFT-NBO studies of the origin of 19F NMR shielding effects in alkyl fluorides
por: Peralta, Juan Ernesto, et al.
Publicado: (1999)

DFT-GIAO and DFT-NBO studies of the origin of 19F NMR shielding effects in alkyl fluorides
por: Adcock, W.
Publicado: (1999)

Experimental and Theoretical Study of the High-Temperature UV-Visible Spectra of Aqueous Hydroquinone and 1,4-Benzoquinone
por: Estrin, Dario Ariel, et al.
Publicado: (2016)

Time dependence of critical behavior in multifragmentation
por: Balenzuela, Pablo, et al.
Publicado: (2002)

Reactions of melatonin and related indoles with free radicals: A computational study
por: Turjanski, A.G., et al.

Breakdown of the one-electron pictures in photoelectron spectra /
por: Wendin, Göran
Publicado: (1981)

Rydberg atoms and electron transfer to the continuum spectra.
por: Nemirovsky, J. B. E., et al.
Publicado: (1983)