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

Angewandte Chemie - International Edition

Volumn 46, Issue 3, 2007, Pages 463-466

  Amirjalayer, Saeed ^a   Tafipolsky, Maxim ^a   Schmid, Rochus ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

Computer chemistry; Coordination polymers; Host guest systems; Molecular dynamics; Self diffusion coefficients

Indexed keywords

COMPUTER SIMULATION; COORDINATION REACTIONS; DIFFUSION; LATTICE VIBRATIONS; MOLECULAR DYNAMICS; ORGANOMETALLICS; POLYMERS;

COMPUTER CHEMISTRY; COORDINATION POLYMERS; HOST GUEST SYSTEMS; SELF DIFFUSION COEFFICIENTS;

BENZENE;

EID: 33846437803     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200601746     Document Type: Article

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