Density-functional molecular dynamics studies of biologically relevant iron and cobalt complexes with macrocyclic ligands

Coordination Chemistry Reviews

Volumn 252, Issue 12-14, 2008, Pages 1497-1513

  Degtyarenko, Ivan ^a   Biarnés, Xevi ^b   Nieminen, Risto M ^a   Rovira, Carme ^b,c  

^a AALTO UNIVERSITY   (Finland)

^b Centre de Recerca en Quimica Teorica   (Spain)

^c INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

Ab initio molecular dynamics; Adenosylcobalamin; Car Parrinello method; Heme models; Methylcobalamin; Organocobalt complexes

Indexed keywords

EID: 43849109818     PISSN: 00108545     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ccr.2007.10.022     Document Type: Review

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