Inaccuracy of Density Functional Theory Calculations for Dihydrogen Binding Energetics onto Ca Cation Centers

Theoretical Study of Hydrogen Storage in Ca-Coated Fullerenes

(2009) Qian Wang et al.   Journal of Chemical Theory and Computation

Crossover between multipole Coulomb and Kubas interactions in hydrogen adsorption on metal-graphene complexes

(2009) Gyubong Kim et al.   PHYSICAL REVIEW B

Ab initiocalculations predicting the existence of an oxidized calcium dihydrogen complex to store molecular hydrogen in densities up to 100 g/L

(2009) Yong-Hyun Kim et al.   PHYSICAL REVIEW B

Hydrogen storage of calcium atoms adsorbed on graphene: First-principles plane wave calculations

(2009) C. Ataca et al.   PHYSICAL REVIEW B

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Calcium as the Superior Coating Metal in Functionalization of Carbon Fullerenes for High-Capacity Hydrogen Storage

(2008) Mina Yoon et al.   PHYSICAL REVIEW LETTERS