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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 |
Three-point recognition and selective fluorescence sensing of L-DOPA Coskun, Ali; Akkaya, EU, ORGANIC LETTERS, v.6, no.18, pp.3107 - 3109, 2004-09 |
Novel fluorescent chemosensor for anions via modulation of oxidative PET: a remarkable 25-fold enhancement of emission Coskun, Ali; Baytekin, BT; Akkaya, EU, TETRAHEDRON LETTERS, v.44, no.30, pp.5649 - 5651, 2003-07 |
Difluorobora-s-diazaindacene dyes as highly selective dosimetric reagents for fluoride anions Coskun, Ali; Akkaya, EU, TETRAHEDRON LETTERS, v.45, no.25, pp.4947 - 4949, 2004-06 |
Intergranular amorphous films and dislocations-promoted grain growth in SrTiO3 Chung, Sung-Yoon; Kang, Suk-Joong L, ACTA MATERIALIA, v.51, no.8, pp.2345 - 2354, 2003 |
Effects of donor concentration and oxygen partial pressure on interface morphology and grain growth behavior in SrTiO3 Chung, Sung-Yoon; Yoon, DY; Kang, Suk-Joong L, ACTA MATERIALIA, v.50, no.13, pp.3361 - 3371, 2002-08 |
Formation of V-shaped pits in nitride films grown by metalorganic chemical vapor deposition Cho, HK; Lee, Jung-Yong, JOURNAL OF THE KOREAN PHYSICAL SOCIETY, v.42, pp.S547 - S550, 2003-02 |
Dendritic chelating agents. 1. Cu(II) binding to ethylene diamine core poly(amidoamine) dendrimers in aqueous solutions Diallo, Mamadou S; Christie, S; Swaminathan, P; Balogh, L; Shi, XY; Um, W; Papelis, C; et al, LANGMUIR, v.20, no.7, pp.2640 - 2651, 2004-03 |
An orbital-based definition of radical and multiradical character Dutoi, AD; Jung, Yousung; Head-Gordon, M, JOURNAL OF PHYSICAL CHEMISTRY A, v.108, no.46, pp.10270 - 10279, 2004-11 |
Electronic structure of ellipsoidally deformed quantum dots Lee, IH; Kim, Yong-Hoon; Ahn, KH, JOURNAL OF PHYSICS-CONDENSED MATTER, v.13, no.9, pp.1987 - 1993, 2001-03 |
Aromaticity of four-membered-ring 6 pi-electron systems: N2S2 and Li2C4H4 Jung, Yousung; Heine, T; Schleyer, PV; Head-Gordon, M, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.126, no.10, pp.3132 - 3138, 2004-03 |
An ab initio study of the structure of two-, three- and five-dimer silicon clusters: An approach to the Si(100) surface Jung, Yousung; Akinaga, Y; Jordan, KD; Gordon, MS, THEORETICAL CHEMISTRY ACCOUNTS, v.109, no.5, pp.268 - 273, 2003-06 |
Adsorption of water on the Si(100) surface: An ab initio and QM/MM cluster study Jung, Yousung; Choi, CH; Gordon, MS, JOURNAL OF PHYSICAL CHEMISTRY B, v.105, no.18, pp.4039 - 4044, 2001-05 |
Exact Kohn-Sham exchange kernel for insulators and its long-wavelength behavior Kim, Yong-Hoon; Gorling, A, PHYSICAL REVIEW B, v.66, no.3, 2002-07 |
Strong nonlinear current-voltage behaviour in perovskite-derivative calcium copper titanate Chung, Sung-Yoon; Kim, ID; Kang, Suk-Joong L, NATURE MATERIALS, v.3, no.11, pp.774 - 778, 2004-11 |
Friction and adhesion properties of clean and oxidized Al-Ni-Co decagonal quasicrystals: a UHV atomic force microscopy/scanning tunneling microscopy study Park, JeongYoung; Ogletree, DF; Salmeron, M; Jenks, CJ; Thiel, PA, TRIBOLOGY LETTERS, v.17, no.3, pp.629 - 636, 2004-10 |
What is the nature of the long bond in the TCNE22- pi-dimer? Jung, Yousung; Head-Gordon, M, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.6, no.9, pp.2008 - 2011, 2004-05 |
Intermolecular,pi-to-pi bonding between stacked aromatic dyads. Experimental and theoretical binding energies and near-IR optical transitions for phenalenyl radical/radical versus radical/cation dimerizations Small, D; Zaitsev, V; Jung, Yousung; Rosokha, SV; Head-Gordon, M; Kochi, JK, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.126, no.42, pp.13850 - 13858, 2004-10 |
Prediction of transition state barriers and enthalpies of reaction by a new hybrid density-functional approximation Kang, Jeung Ku; Musgrave CB, JOURNAL OF CHEMICAL PHYSICS, v.115, no.24, pp.11040 - 11051, 2001-12 |
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