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| NO | Title, Author(s) (Publication Title, Volume Issue, Page, Issue Date) |
|---|---|
| Dendrimer enhanced ultrafiltration. 1. Recovery of Cu(II) from aqueous solutions using PAMAM dendrimers with ethylene diamine core and terminal NH2 groups Diallo, Mamadou S; Christie, S; Swaminathan, P; Johnson, JH; Goddard, WA, ENVIRONMENTAL SCIENCE TECHNOLOGY, v.39, no.5, pp.1366 - 1377, 2005-03 | |
| Structures and properties of self-assembled monolayers of bistable [2]rotaxanes on Au(111) surfaces from molecular dynamics simulations validated with experiment Jang, SS; Jang, YH; Kim, Yong-Hoon; Goddard, WA; Flood, AH; Laursen, BW; Tseng, HR; Stoddart, JF; Jeppesen, JO; Choi, Jang Wook; Steuerman, DW; DeIonno, E; Heath, JR, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.127, no.5, pp.1563 - 1575, 2005-02 | |
| First-principles study of the switching mechanism of [2]catenane molecular electronic devices Kim, Yong-Hoon; Jang, SS; Jang, YH; Goddard, WA, PHYSICAL REVIEW LETTERS, v.94, no.15, 2005-04 | |
| Conformations and charge transport characteristics of biphenyldithiol self-assembled-monolayer molecular electronic devices: A multiscale computational study (vol 122, art no 244703, 2005) Kim, Yong-Hoon; Jang, SS; Goddard, WA, JOURNAL OF CHEMICAL PHYSICS, v.123, no.16, pp.397 - 401, 2005-10 | |
| Molecular dynamics simulation of amphiphilic bistable [2]rotaxane Langmuir monolayers at the air/water interface Jang, SS; Jang, YH; Kim, Yong-Hoon; Goddard, WA; Choi, Jang Wook; Heath, JR; Laursen, BW; Flood, AH; Stoddart, JF; Norgaard, K; Bjornholm, T, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.127, no.42, pp.14804 - 14816, 2005-10 | |
| A candidate LiBH4 for hydrogen storage: Crystal structures and reaction mechanisms of intermediate phases Kang, Jeung Ku; Kim, SY; Han, YS; Muller, RP; Goddard, WA, APPLIED PHYSICS LETTERS, v.87, no.11, 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 | |
| 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 |
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