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| NO | Title, Author(s) (Publication Title, Volume Issue, Page, Issue Date) |
|---|---|
| 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 | |
| A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz Zhang, IY; Xu, X; Jung, Yousung; Goddard, WA, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.108, no.50, pp.19896 - 19900, 2011-12 | |
| 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 | |
| Development and Validation of a ReaxFF Reactive Force Field for Cu Cation/Water Interactions and Copper Metal/Metal Oxide/Metal Hydroxide Condensed Phases van Duin, ACT; Bryantsev, VS; Diallo, Mamadou S; Goddard, WA; Rahaman, O; Doren, DJ; Raymand, D; Hermansson, K, JOURNAL OF PHYSICAL CHEMISTRY A, v.114, no.35, pp.9507 - 9514, 2010-09 | |
| 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 | |
| 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 | |
| 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 | |
| Efficiency of pi-pi tunneling in [2]rotaxane molecular electronic switches Kim, Yong-Hoon; Goddard, WA, JOURNAL OF PHYSICAL CHEMISTRY C, v.111, no.12, pp.4831 - 4837, 2007-03 | |
| 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 |
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