https://publications-cnrc.canada.ca/fra/voir/objet/?id=94761cd9-07f1-4778-8ff1-1c76832550fc
Rechercher Da costa, Leonardo M; Rechercher Stoyanov, Stanislav R; Rechercher Gusarov, Sergey; Rechercher Tan, Xiaoli; Rechercher Gray, Murray R; Rechercher Stryker, Jeffrey M; Rechercher Tykwinski, Rik; Rechercher de M. Carneiro, J. Walkimar; Rechercher Seidl, Peter R; Rechercher Kovalenko, Andriy
Energy & Fuels, 17 mai 2012, Volume : 26, Numéro : 5
We performed density functional theory (DFT) calculations using the WB97Xd functional with a dispersion correction term and the 6-31G(d,p) basis set to study...
Article de périodique (revue)