Ultrafast photochemistry and electron diffraction for cyclobutanone in the S2 state: Surface hopping with time-dependent density functional theory.

Miller, Ericka Roy; Hoehn, Sean J; Kumar, Abhijith; Jiang, Dehua; Parker, Shane M

Miller, Ericka Roy; Hoehn, Sean J; Kumar, Abhijith; Jiang, Dehua; Parker, Shane M.

Afiliação

Miller ER; Department of Chemistry, Case Western Reserve University, 10900 Euclid Ave., Cleveland, Ohio 44106, USA.
Hoehn SJ; Department of Chemistry, Case Western Reserve University, 10900 Euclid Ave., Cleveland, Ohio 44106, USA.
Kumar A; Department of Chemistry, Case Western Reserve University, 10900 Euclid Ave., Cleveland, Ohio 44106, USA.
Jiang D; Department of Chemistry, Case Western Reserve University, 10900 Euclid Ave., Cleveland, Ohio 44106, USA.
Parker SM; Department of Chemistry, Case Western Reserve University, 10900 Euclid Ave., Cleveland, Ohio 44106, USA.

J Chem Phys ; 161(3)2024 Jul 21.

Article em En | MEDLINE | ID: mdl-39007373

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2024 Tipo de documento: Article País de afiliação: Estados Unidos

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