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Browse "Graduate school of EEWS(EEWS대학원)" by Author Goddard, WA

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Showing results 16 to 32 of 32

16	First-principles approach to the charge-transport characteristics of monolayer molecular-electronics devices: Application to hexanedithiolate devices Kim, Yong-Hoon; Tahir-Kheli, J; Schultz, PA; Goddard, WA, PHYSICAL REVIEW B, v.73, no.23, 2006-06
17	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
18	Hydration of copper(II): New insights from density functional theory and the COSMO solvation model Bryantsev, VS; Diallo, Mamadou S; van Duin, ACT; Goddard, WA, JOURNAL OF PHYSICAL CHEMISTRY A, v.112, no.38, pp.9104 - 9112, 2008-09
19	Hydrogen storage in LiAlH4: Predictions of the crystal structures and reaction mechanisms of intermediate phases from quantum mechanics Kang, Jeung Ku; Lee, JY; Muller, RP; Goddard, WA, JOURNAL OF CHEMICAL PHYSICS, v.121, no.21, pp.10623 - 10633, 2004-12
20	Interactions of Poly(amidoamine) Dendrimers with Human Serum Albumin: Binding Constants and Mechanisms Giri, J; Diallo, Mamadou S; Simpson, AJ; Liu, Y; Goddard, WA; Kumar, R; Woods, GC, ACS NANO, v.5, no.5, pp.3456 - 3468, 2011-05
21	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
22	Mechanically Stabilized Tetrathiafulvalene Radical Dimers Coskun, Ali; Spruell, JM; Barin, G; Fahrenbach, AC; Forgan, RS; Colvin, MT; Carmieli, R; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.133, no.12, pp.4538 - 4547, 2011-03
23	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; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.127, no.42, pp.14804 - 14816, 2005-10
24	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; et al, APPLIED PHYSICS LETTERS, v.87, no.21, pp. 213113 - 213113, 2005-11
25	PAMAM Dendrimers Undergo pH Responsive Conformational Changes without Swelling Liu, Y; Bryantsev, VS; Diallo, Mamadou S; Goddard, WA, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.131, no.8, pp.2798 - 2798, 2009-03
26	Partitioning of Poly(amidoamine) Dendrimers between n-Octanol and Water Giri, J; Diallo, Mamadou S; Goddard, WA; Dalleska, NF; Fang, XD; Tang, YC, ENVIRONMENTAL SCIENCE TECHNOLOGY, v.43, no.13, pp.5123 - 5129, 2009-07
27	pK(a) calculations of aliphatic amines, diamines, and aminoamides via density functional theory with a Poisson-Boltzmann continuum solvent model Bryantsev, VS; Diallo, Mamadou S; Goddard, WA, JOURNAL OF PHYSICAL CHEMISTRY A, v.111, no.20, pp.4422 - 4430, 2007-05
28	Possible performance improvement in [2]catenane molecular electronic switches Kim, Yong-Hoon; Jang, SS; Goddard, WA, APPLIED PHYSICS LETTERS, v.88, no.16, 2006-04
29	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; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.127, no.5, pp.1563 - 1575, 2005-02
30	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
31	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
32	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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