Showing results 3 to 5 of 5
Optimization and application of lithium parameters for the reactive force field, ReaxFF Han, SS; van Duin, ACT; Goddard, WA; Lee, HyuckMo, JOURNAL OF PHYSICAL CHEMISTRY A, v.109, no.20, pp.4575 - 4582, 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 |
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 |
Discover