Computational insight into excited states of the ring-opening radicals from the pyrolysis of furan biofuels

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Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 40(2019), 9 vom: 05. Apr., Seite 1057-1065
Auteur principal: Li, Yuanyuan (Auteur)
Autres auteurs: Gan, Yanzhen, Cao, Zexing
Format: Article en ligne
Langue:English
Publié: 2019
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't TDDFT and CASPT2 calculations electronic spectra excited-state nonadiabatic dynamics furan biofuels radicals Biofuels Free Radicals Furans plus... furan UC0XV6A8N9