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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 |
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 |
Two-electron three-centered bond in side-on (eta(2)) uranyl(V) superoxo complexes Bryantsev, VS; de Jong, WA; Cossel, KC; Diallo, Mamadou S; Goddard, WA; Groenewold, GS; Chien, W; et al, JOURNAL OF PHYSICAL CHEMISTRY A, v.112, no.26, pp.5777 - 5780, 2008-07 |
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