The structural properties of liquid nitromethane(NM)confined in single-walled carbon nanotubes(SWNTs)was explored by molecular dynamics simulations towards
Atmospheric nucleation precursors may participate in the atmospheric oxidation process and thereby change the atmospheric reaction mechanism.The isomerizati
The perfluorinated cages with all the exo polarized Cδ+-Fδ-bonds have been proposed to be efficient containers of excess electrons.To manipulate the local
The theoretical investigation on the mechanisms and dynamics of the reaction CHF2OCF2CHFCl+Cl have been studied at the B3LYP/6-311G(d,p),BHandLYP/6-311G(d,p