Dynamics of benzene molecules situated in metal-organic frameworks

DOI10.1007/S10910-011-9880-XMaRDI QIDQ656971zbMATHOpenAlexFDO

Authors Yue Chan, Jim Hill

Publication date 13 January 2012

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-011-9880-x

zbMATH Keywords

Coulomb forcecontinuous approximationLennard-Jones potentialbenzene moleculemetal-organic frameworksmolecular gyroscopemolecular turnstilesterically unhinderedterahertz frequency

Mathematics Subject Classification ID

Classical flows, reactions, etc. in chemistry (92E20)

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Cites work

• Brownian motion in a field of force and the diffusion model of chemical reactions
• Mechanics of atoms and fullerenes in single-walled carbon nanotubes. I. Acceptance and suction energies
• Mechanics of atoms and fullerenes in single-walled carbon nanotubes. II. Oscillatory behaviour
• Thermal conductivity of a metal-organic framework (MOF-5): Part II. Measurement

Cited in

(6)

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• Ion selectivity using membranes comprising functionalized carbon nanotubes
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• Modelling and MD simulations on ultra-filtration using graphene sheet

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