☆ 4.8 Article

Molecular dynamics simulation of benzene diffusion in MOF-5: Importance of lattice dynamics

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)

Journal

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Volume 46, Issue 3, Pages 463-466

Publisher

WILEY-V C H VERLAG GMBH

DOI: 10.1002/anie.200601746

Keywords

computer chemistry; coordination polymers; host-guest systems molecular dynamics; self-diffusion coefficients

Categories

Chemistry, Multidisciplinary

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