https://publications-cnrc.canada.ca/fra/voir/objet/?id=87f40a51-7a0e-45b1-9ab8-3c61a7dc4e3e
The Journal of Physical Chemistry A, 2013, Volume : 117, Numéro : 5
Conventional density-functional theory (DFT) has the potential to overbind radical-molecule complexes because of erroneous charge transfer. We examined this...
Article de périodique (revue)