机译:An assessment of density functionals for predicting CO2 adsorption in diamine-functionalized metal-organic frameworks
Korea Inst Sci & Technol KIST;
Chalmers Univ Technol;
Univ Calif Berkeley;
GENERALIZED GRADIENT APPROXIMATION; CARBON-DIOXIDE; FLUE-GAS; CAPTURE; STORAGE; DESIGN; PSEUDOPOTENTIALS; SEPARATIONS; ACTIVATION; DISPERSION;