Accuracy of density functional theory methods for weakly bonded systems: The case of dihydrogen binding on metal centers

Ab initio design of Ca-decorated organic frameworks for high capacity molecular hydrogen storage with enhanced binding

(2009) Y. Y. Sun et al.   APPLIED PHYSICS LETTERS

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

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

(2009) Janghwan Cha et al.   PHYSICAL REVIEW LETTERS

Accurate and efficient calculation of van der Waals interactions within density functional theory by local atomic potential approach

(2008) Y. Y. Sun et al.   JOURNAL OF CHEMICAL PHYSICS

Can Ti2−C2H4 Complex Adsorb H2 Molecules?

(2008) Yasuharu Okamoto   Journal of Physical Chemistry C

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

(2008) Mina Yoon et al.   PHYSICAL REVIEW LETTERS