Thursday, March 24, 2005
8:00AM - 8:36AM
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U14.00001: Physical properties of Ti-doped sodium alanates: First-principles studies and experiments
Invited Speaker:
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Thursday, March 24, 2005
8:36AM - 8:48AM
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U14.00002: Atomic and electronic structure of alkali borohydrides: An \textit {ab initio} study
W. Gempel, N. Kioussis, D. Papaconstantopoulos
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Thursday, March 24, 2005
8:48AM - 9:00AM
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U14.00003: First principles study of absorption of Hydrogen into Pd(111)
Sampyo Hong, Talat Rahman
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Thursday, March 24, 2005
9:00AM - 9:12AM
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U14.00004: Hydrogens in Metal Clusters
Shuhei Ohnishi
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Thursday, March 24, 2005
9:12AM - 9:24AM
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U14.00005: Ab initio investigation of LiNH$_{2}$, Li$_{2}$NH, and Mg(AlH$_{4}$)$_{2}$ complex hydrides
Blanka Magyari-Kope, Vidvuds Ozolins
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Thursday, March 24, 2005
9:24AM - 9:36AM
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U14.00006: Lattice Dynamics and Thermodynamic Properties of Complex Hydride NaAlH$_4$
Amra Peles, M. Y. Chou
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Thursday, March 24, 2005
9:36AM - 9:48AM
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U14.00007: Predicted high storage of hydrogen via H2 complexes on titanium-decorated nanotubes
Taner Yildirim, S. Ciraci
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Thursday, March 24, 2005
9:48AM - 10:00AM
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U14.00008: Confinement effects on chemical reactions in nanostructured carbon materials
Aaron George, Milen Kostov, Erik Santiso, Keith Gubbins, Marco Buongiorno Nardelli
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Thursday, March 24, 2005
10:00AM - 10:12AM
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U14.00009: First principles study of ammonia decomposition on Ni and Pd surfaces
Talat S. Rahman, Sergey Stolbov
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Thursday, March 24, 2005
10:12AM - 10:24AM
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U14.00010: LiNH$_2$--MgH$_2$ as a Potential Hydrogen Storage Material: a Density Functional Theory Study
Ralph H. Scheicher, C. Moyses Araujo, Rajeev Ahuja
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