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Auteur Titre [ Type
] Année Filtres: Auteur est Morrison, Carole A [Clear All Filters]
First principles static and dynamic calculations for the transition metal hydride series MH4L3 (M = Fe, Ru and Os; L = NH3, PH3 and PF3).,
, Dalt. Trans., Volume 44, Number 9, p.4259–4270, (2015)
Liquid Methanol from DFT and DFT/MM Molecular Dynamics Simulations.,
, J. Chem. Theory Comput., Volume 9, Number 1, p.106–118, (2013)