Vibrational energy levels of the simplest Criegee intermediate (CH2OO) from full-dimensional Lanczos, MCTDH, and MULTIMODE calculations.

Yu, Hua-Gen; Ndengue, Steve; Li, Jun; Dawes, Richard; Guo, Hua.

Afiliação

Yu HG; Department of Chemistry, Brookhaven National Laboratory, Upton, New York 11973, USA.
Ndengue S; Department of Chemistry, Missouri University of Science and Technology, Rolla, Missouri 65409, USA.
Li J; Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, USA.
Dawes R; Department of Chemistry, Missouri University of Science and Technology, Rolla, Missouri 65409, USA.
Guo H; Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, USA.

J Chem Phys ; 143(8): 084311, 2015 Aug 28.

Article em En | MEDLINE | ID: mdl-26328847

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2015 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2015 Tipo de documento: Article