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Computational Study of Silica-Supported Transition Metal Fragments for Kubas-type Hydrogen Storage

Skipper, CVJ; Hamaed, A; Antonelli, DM; Kaltsoyannis, N; (2010) Computational Study of Silica-Supported Transition Metal Fragments for Kubas-type Hydrogen Storage. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY , 132 (48) pp. 17296-17305. 10.1021/ja107539j.

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Type: Article
Title: Computational Study of Silica-Supported Transition Metal Fragments for Kubas-type Hydrogen Storage
DOI: 10.1021/ja107539j
Keywords: Science & Technology, Physical Sciences, Chemistry, Multidisciplinary, Chemistry, CHEMISTRY, MULTIDISCIPLINARY, GAUSSIAN-BASIS SETS, MOLECULAR-ORBITAL METHODS, ORGANIC FRAMEWORKS, COORDINATION SITES, H-2 PRODUCTION, ROW ATOMS, DENSITY, BINDING, TI, ENERGIES
UCL classification: UCL > School of BEAMS
UCL > School of BEAMS > Faculty of Maths and Physical Sciences
URI: http://discovery.ucl.ac.uk/id/eprint/703806
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