Photoinduced Dynamics with Constrained Vibrational Motion: FrozeNM Algorithm

  1. Negrin-Yuvero, H.
  2. Freixas, V.M.
  3. Rodriguez-Hernandez, B.
  4. Rojas-Lorenzo, G.
  5. Tretiak, S.
  6. Bastida, A.
  7. Fernandez-Alberti, S.
Revue:
Journal of Chemical Theory and Computation

ISSN: 1549-9626 1549-9618

Année de publication: 2020

Volumen: 16

Número: 12

Pages: 7289-7298

Type: Article

DOI: 10.1021/ACS.JCTC.0C00930 GOOGLE SCHOLAR

Objectifs de Développement Durable