Accurate treatment of large supramolecular complexes by double-hybrid density functionals coupled with nonlocal van der waals corrections

  1. Calbo, J.
  2. Ortí, E.
  3. Sancho-García, J.C.
  4. Aragó, J.
Aldizkaria:
Journal of Chemical Theory and Computation

ISSN: 1549-9626 1549-9618

Argitalpen urtea: 2015

Alea: 11

Zenbakia: 3

Orrialdeak: 932-939

Mota: Artikulua

DOI: 10.1021/ACS.JCTC.5B00002 GOOGLE SCHOLAR

Garapen Iraunkorreko Helburuak