Molecular simulation of hydrogen adsorption in metal-organic frameworks

Michael Fischer; Frank Hoffmann; Michael Fröba

doi:10.1016/j.colsurfa.2009.11.025

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Molecular simulation of hydrogen adsorption in metal-organic frameworks

Michael Fischer Frank Hoffmann Michael Fröba

Year: 2009 Journal: Colloids and Surfaces A Physicochemical and Engineering Aspects Vol: 357 (1-3)Pages: 35-42 Publisher: Elsevier BV

DOI: 10.1016/j.colsurfa.2009.11.025

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Keywords:

Metal-organic framework Adsorption Grand canonical ensemble Hydrogen molecule Hydrogen Hydrogen storage Monte Carlo method Hydrogen bond Copper Metal Materials science Density functional theory Force field (fiction) Field (mathematics) Molecule Computational chemistry Chemistry Chemical physics Physical chemistry Computer science Organic chemistry Mathematics

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Metal-Organic Frameworks: Synthesis and Applications

Physical Sciences → Chemistry → Inorganic Chemistry

Advanced NMR Techniques and Applications

Physical Sciences → Chemistry → Spectroscopy

Crystallography and molecular interactions

Physical Sciences → Chemistry → Physical and Theoretical Chemistry

Molecular simulation of hydrogen adsorption in metal-organic frameworks

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