Exploring network topologies of copper paddle wheel based metal-organic frameworks with a first-principles derived force field

Journal of Physical Chemistry C

Volumn 115, Issue 31, 2011, Pages 15133-15139

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

^a RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BUILDING BLOCKES; COMPLEX STRUCTURE; COMPUTATIONAL TOOLS; CONFORMATIONAL PREFERENCES; DEFORMATION ENERGY; FIRST-PRINCIPLES; FORCE FIELDS; METAL ORGANIC FRAMEWORK; NETWORK TOPOLOGY; PADDLE WHEELS; REFERENCE DATA;

BROMINE; ELECTRIC NETWORK TOPOLOGY; JAVA PROGRAMMING LANGUAGE; MECHANICS; MOLECULAR MECHANICS; ORGANIC POLYMERS; ORGANOMETALLICS; WHEELS;

TOPOLOGY;

EID: 79961219598     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp200123g     Document Type: Article

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