| 1 | Effect of spin state on the dihydrogen binding strength to transition metal centers in metal-organic frameworks Sun, YY; Kim, Yong-Hyun; Zhang, SB, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.129, no.42, pp.12606 - 12606, 2007-10 |
| 2 | Accurate and efficient calculation of van der Waals interactions within density functional theory by local atomic potential approach Sun, YY; Kim, Yong-Hyun; Lee, K; Zhang, SB, JOURNAL OF CHEMICAL PHYSICS, v.129, no.15, 2008-10 |
| 3 | Enhanced dihydrogen adsorption in symmetry-lowered metal-porphyrin-containing frameworks Kim, Yong-Hyun; Sun, YY; Choi, WI; Kang, J; Zhang, SB, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.11, no.48, pp.11400 - 11403, 2009-12 |
| 4 | Ab initio design of Ca-decorated organic frameworks for high capacity molecular hydrogen storage with enhanced binding Sun, YY; Lee, K; Kim, Yong-Hyun; Zhang, SB, APPLIED PHYSICS LETTERS, v.95, no.3, 2009-07 |
| 5 | Ab initio calculations predicting the existence of an oxidized calcium dihydrogen complex to store molecular hydrogen in densities up to 100 g/L Kim, Yong-Hyun; Sun, YY; Zhang, SB, PHYSICAL REVIEW B, v.79, no.11, 2009-03 |
