Can DFT accurately predict spin densities? Analysis of discrepancies in iron nitrosyl complexes

Journal of Chemical Theory and Computation

Volumn 7, Issue 9, 2011, Pages 2740-2752

  Boguslawski, Katharina ^a   Jacob, Christoph R ^b   Reiher, Markus ^a  

^a ETH ZURICH   (Switzerland)

^b KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 80052811416     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct1006218     Document Type: Article

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