Classical and ab initio preparation of reliable structures for polymeric coordination compounds

Comptes Rendus Chimie

Volumn 10, Issue 1-2, 2007, Pages 82-88

  Jeschke, Harald O ^a   Salguero, L Andrea ^a   Valentí, Roser ^a   Buchsbaum, Christian ^a   Schmidt, Martin U ^a   Wagner, Matthias ^a  

^a GOETHE UNIVERSITY   (Germany)

Author keywords

Coordination polymer; Density functional theory; Structure optimization

Indexed keywords

EID: 33846923150     PISSN: 16310748     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.crci.2006.06.007     Document Type: Article

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