Evaluation of modern DFT functionals and G3n-RAD composite methods in the modelization of organic singlet diradicals

  1. López-Carballeira, D.
  2. Ruipérez, F.
Revue:
Journal of Molecular Modeling

ISSN: 0948-5023 1610-2940

Année de publication: 2016

Volumen: 22

Número: 4

Type: Article

DOI: 10.1007/S00894-016-2950-Z GOOGLE SCHOLAR