Complete vs restricted active space perturbation theory calculation of the Cr2 potential energy surface

  1. Ruipérez, F.
  2. Aquilante, F.
  3. Ugalde, J.M.
  4. Infante, I.
Aldizkaria:
Journal of Chemical Theory and Computation

ISSN: 1549-9618 1549-9626

Argitalpen urtea: 2011

Alea: 7

Zenbakia: 6

Orrialdeak: 1640-1646

Mota: Artikulua

DOI: 10.1021/CT200048Z GOOGLE SCHOLAR