https://publications-cnrc.canada.ca/fra/voir/objet/?id=ef2774a0-4f28-484a-af9b-9f70a1a7f57b
The Journal of Physical Chemistry A, 22 mai 2003, Volume : 107, Numéro : 20
Gradient-corrected density functional theory (DFT) calculations were carried out to develop a scaled quantum mechanical (SQM) force field for nickel...
Article de périodique (revue)