Article ISI SCOPUS
THEORETICAL CHEMISTRY ACCOUNTS  (2018)

A systematic electronic structure study of the O-O bond dissociation energy of hydrogen peroxide and the electron affinity of the hydroxyl radical

Carmona, DJ; Contreras, DR; Douglas-Gallardo, OA; Vogt-Geisse, S; Jaque, P; Vohringer-Martinez, E

Keywords: hydrogen peroxide, dft, Electron affinity, CBS limit, BDE

Más información

Título según WOS: A systematic electronic structure study of the O-O bond dissociation energy of hydrogen peroxide and the electron affinity of the hydroxyl radical
Título según SCOPUS: A systematic electronic structure study of the O–O bond dissociation energy of hydrogen peroxide and the electron affinity of the hydroxyl radical
Título de la Revista: THEORETICAL CHEMISTRY ACCOUNTS
Volumen: 137
Número: 9
Editorial: Springer
Fecha de publicación: 2018
Idioma: English
DOI:

10.1007/s00214-018-2307-z
Notas: ISI, SCOPUS