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Molecular dynamics simulation of benzene diffusion in MOF-5: importance of lattice dynamics |
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| Authors: | Amirjalayer Saeed Tafipolsky Maxim Schmid Rochus |
| Affiliation: | Lehrstuhl für Anorganische Chemie II, Organometallics and Materials Chemistry, Ruhr‐Universit?t Bochum, 44780 Bochum, Germany, Fax: (+49)?234‐32‐14174 |
| Abstract: | |
| Keywords: | computer chemistry coordination polymers host–guest systems molecular dynamics self‐diffusion coefficients |
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