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AB INITIO molecular orbital studies of some high temperature metal halide complexes. [300/sup 0/--500/sup 0/C]

Description: The use of ab initio molecular orbital calculations to aid in the characterization, i.e., structures and energies, of metal halide complexes present in high temperature salt vapors has been investigated. Standard LCAO-SCF methods were used and calculations were carried out using the minimal STO-3G basis set. The complexes included in this study were Al/sub 2/F/sub 6/, Al/sub 2/Cl/sub 6/, AlF/sub 3/ NH/sub 3/, AlCl/sub 3/ NH/sub 3/, and AlF/sub 3/ N/sub 2/. The Al/sub 2/X/sub 6/ complexes are fo… more
Date: September 18, 1978
Creator: Curtiss, L.A.
Partner: UNT Libraries Government Documents Department
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Closed-loop biomass co-firing in a laboratory reactor and in a full-scale boiler.

Description: Co-firing tests were conducted in a pilot-scale reactor at Sandia National Laboratories and in a boiler at the Hawaiian Commercial & Sugar factory at Puunene, Hawaii. Combustion tests were performed in the Sandia Multi-Fuel Combustor using Australian coal, whole fiber cane including tops and leaves processed at three different levels (milled only, milled and leached, and milled followed by leaching and subsequent milling), and fiber cane stripped of its tops and leaves and heavily processed thr… more
Date: May 1, 2004
Creator: Jenkins, Bryan M. (University of California, Davis, CA); Williams, Robert B. (University of California, Davis, CA); Turn, Scott Q. (Hawaii Natural Energy Institute.); Jakeway, Lee A. (Hawaiian Commercial & Sugar Company) & Blevins, Linda Gail
Partner: UNT Libraries Government Documents Department
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Magnetoresistance peak in the mixed state of the organic superconductor {kappa}-(BEDT-TTF){sub 2}Cu[N(CN){sub 2}]Br

Description: In this letter, the authors report transport measurements with field and current parallel to the b axis (perpendicular to the conducting plane) in the organic superconductor {kappa}-(BEDT-TTF){sub 2}Cu[N(CN){sub 2}]Br. The isothermal magnetoresistance R(H) displays a peak effect as a function of field. The peak resistance is substantially larger than that in large fields. The results are in sharp contrast to the conventional dissipation mechanisms in the mixed state of anisotropic superconducto… more
Date: August 1, 1997
Creator: Zuo, F.; Schlueter, J. A. & Williams, J. M.
Partner: UNT Libraries Government Documents Department
open access

Final report submitted to the Department of Energy [Encapsulation of metal chelate and oxo catalysts in nanoporous hosts]

Description: The focus of this project is directed at the design of novel zeolite-based hybrid catalysts, based on encapsulated transition metal chelate complexes and metal oxo species. One goal is to achieve improved control over the active species in heterogeneous catalysis, as well as improved reactant and product selectivities. This is achieved by combining the catalytic activity of transition metal catalysts with the large surface area of microporous and mesoporous hosts. Furthermore, shape selectivity… more
Date: October 27, 2000
Creator: Bein, Thomas
Partner: UNT Libraries Government Documents Department
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