Insights into the Gas Adsorption Mechanisms in Metal–Organic Frameworks from Classical Molecular Simulations

Tony Pham; Brian Space

doi:10.1007/978-3-030-47340-2_7

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Insights into the Gas Adsorption Mechanisms in Metal–Organic Frameworks from Classical Molecular Simulations

Tony Pham Brian Space

Year: 2020 Topics in current chemistry collections Pages: 215-279 Publisher: Springer International Publishing

DOI: 10.1007/978-3-030-47340-2_7

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Keywords:

Adsorption Molecular dynamics Chemical physics Molecule Interaction energy Chemistry Monte Carlo method Metal-organic framework Computational chemistry Nanotechnology Statistical physics Materials science Physical chemistry Physics Organic chemistry

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Metal-Organic Frameworks: Synthesis and Applications

Physical Sciences → Chemistry → Inorganic Chemistry

X-ray Diffraction in Crystallography

Physical Sciences → Materials Science → Materials Chemistry

Machine Learning in Materials Science

Physical Sciences → Materials Science → Materials Chemistry

Insights into the Gas Adsorption Mechanisms in Metal–Organic Frameworks from Classical Molecular Simulations

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