Assessment of a combined QM/MM approach for the study of large nitroxide systems in vacuo and in condensed phases

  1. Barone, V.
  2. Bencini, A.
  3. Cossi, M.
  4. Di Matteo, A.
  5. Mattesini, M.
  6. Totti, F.
Revue:
Journal of the American Chemical Society

ISSN: 0002-7863

Année de publication: 1998

Volumen: 120

Número: 28

Pages: 7069-7078

Type: Article

DOI: 10.1021/JA981079Z GOOGLE SCHOLAR