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Results 21-26 of 26 (Search time: 0.006 seconds).
| NO | Title, Author(s) (Publication Title, Volume Issue, Page, Issue Date) |
|---|---|
| Theoretical study on interaction of hydrogen with single-walled boron nitride nanotubes. II. Collision, storage, and adsorption Han, SS; Kang, Jeung Ku; Lee, HyuckMo; van Duin, ACT; Goddard, WA, JOURNAL OF CHEMICAL PHYSICS, v.123, pp.4381 - 4396, 2005-09 | |
| Nanopores of carbon nanotubes as practical hydrogen storage media Han, Sangsoo; Kim, HS; Han, KS; Lee, JY; Lee, HyuckMo; Kang, Jeung Ku; Woo, Seong-Ihl; van Duin, ACT; Goddard, WA, APPLIED PHYSICS LETTERS, v.87, no.21, pp. 213113 - 213113, 2005-11 | |
| Liquefaction of H-2 molecules upon exterior surfaces of carbon nanotube bundles Han, SS; Kang, Jeung Ku; Lee, HyuckMo; van Duin, ACT; Goddard, WA, APPLIED PHYSICS LETTERS, v.86, no.20, pp.40 - +, 2005-05 | |
| The theoretical study on interaction of hydrogen with single-walled boron nitride nanotubes. I. The reactive force field ReaxFF(HBN) development Han, SS; Kang, Jeung Ku; Lee, HyuckMo; van Duin, ACT; Goddard, WA, JOURNAL OF CHEMICAL PHYSICS, v.123, no.11, pp.4381 - 4396, 2005-09 | |
| Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters Bryantsev, VS; Diallo, Mamadou S; van Duin, ACT; Goddard, WA, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.5, no.4, pp.1016 - 1026, 2009-04 | |
| Density functional theory studies of the [2]Rotaxane component of the Stoddart-Heath molecular switch Jang, YH; Hwang, SG; Kim, Yong-Hoon; Jang, SS; Goddard, WA, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.126, no.39, pp.12636 - 12645, 2004-10 |
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