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Results 11-20 of 40 (Search time: 0.009 seconds).
| NO | Title, Author(s) (Publication Title, Volume Issue, Page, Issue Date) |
|---|---|
| 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 | |
| Auxiliary basis expansions for large-scale electronic structure calculations Jung, Yousung; Sodt, A; Gill, PMW; Head-Gordon, M, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.102, no.19, pp.6692 - 6697, 2005-05 | |
| A resolution-of-the-identity implementation of the local triatomics-in-molecules model for second-order Moller-Plesset perturbation theory with application to alanine tetrapeptide conformational energies DiStasio, RA; Jung, Yousung; Head-Gordon, M, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.1, no.5, pp.862 - 876, 2005 | |
| Cycloaddition of benzene on Si(100) and its surface conversions Jung, Yousung; Gordon, MS, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.127, no.9, pp.3131 - 3139, 2005-03 | |
| Molecular simulation of a model of dissolved organic matter Sutton, R; Sposito, G; Diallo, Mamadou S; Schulten, HR, ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, v.24, no.8, pp.1902 - 1911, 2005-08 | |
| Nanomaterials and water purification: Opportunities and challenges Savage, N; Diallo, Mamadou S, JOURNAL OF NANOPARTICLE RESEARCH, v.7, no.4-5, pp.331 - 342, 2005-10 | |
| 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 | |
| Ion sensing coupled to resonance energy transfer: A highly selective and sensitive ratiometric fluorescent chemosensor for Ag(I) by a modular approach Coskun, Ali; Akkaya, EU, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.127, no.30, pp.10464 - 10465, 2005-08 | |
| Effective PET and ICT switching of boradiazaindacene emission: A unimolecular, emission-mode, molecular half-subtractor with reconfigurable logic gates Coskun, Ali; Deniz, E; Akkaya, EU, ORGANIC LETTERS, v.7, no.23, pp.5187 - 5189, 2005-11 |
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