Oxygen atom transfer reactions in inorganic analogues of the active site of dimethyl sulfoxide reductase; a DFT and ONIOM (DFT:PM3) study

Molecular Physics

Volumn 103, Issue 18, 2005, Pages 2465-2475

  McNamara, Jonathan P ^a   Mohr, Matthias ^a   Wang, Hong ^a   Hillier, Ian H ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; INORGANIC COMPOUNDS; MOLYBDENUM; PHOTOIONIZATION; PROBABILITY DENSITY FUNCTION; TUNGSTEN;

DIMETHYL SULFOXIDE; MOLEBDENUM PARAMETERS; OXYGEN TRANSFER;

OXYGEN;

EID: 27944456384     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970500179461     Document Type: Conference Paper

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