Combined computational and crystallographic study of the oxidised states of [NiFe] hydrogenase

Journal of Molecular Structure: THEOCHEM

Volumn 770, Issue 1-3, 2006, Pages 199-219

  Söderhjelm, Pär ^a   Ryde, Ulf ^a  

^a LUND UNIVERSITY   (Sweden)

Author keywords

NiFe hydrogenase; Crystallographic refinement; Peroxide bridge; QM MM methods; Solvation energy

Indexed keywords

EID: 33748460267     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.06.008     Document Type: Article

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