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Preferred Hydrogen Adsorption Sites in Various MOFs-A Comparative Computational Study

Fischer, M; Hoffmann, F; Froeba, M; (2009) Preferred Hydrogen Adsorption Sites in Various MOFs-A Comparative Computational Study. CHEMPHYSCHEM , 10 (15) pp. 2647-2657. 10.1002/cphc.200900459.

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Type: Article
Title: Preferred Hydrogen Adsorption Sites in Various MOFs-A Comparative Computational Study
DOI: 10.1002/cphc.200900459
Keywords: Science & Technology, Physical Sciences, Chemistry, Physical, Physics, Atomic, Molecular & Chemical, Chemistry, Physics, CHEMISTRY, PHYSICAL, PHYSICS, ATOMIC, MOLECULAR & CHEMICAL, adsorption, hydrogen, metal-organic frameworks, microporous materials, molecular modeling, METAL-ORGANIC FRAMEWORKS, MONTE-CARLO SIMULATIONS, ZEOLITIC IMIDAZOLATE FRAMEWORKS, MOLECULAR SIMULATION, COORDINATION SITES, STORAGE MATERIALS, BINDING STRENGTH, H-2 ADSORPTION, HIGH-PRESSURE, FORCE-FIELD
UCL classification: UCL > School of BEAMS
UCL > School of BEAMS > Faculty of Maths and Physical Sciences
URI: http://discovery.ucl.ac.uk/id/eprint/1339268
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