Transition metal mediated epoxidation as test case for the performance of different density functionals: A computational study

Journal of Physical Chemistry A

Volumn 107, Issue 28, 2003, Pages 5466-5471

  Cavallo, Luigi ^a   Jacobsen, Heiko ^a,b  

^a UNIVERSITY OF SALERNO   (Italy)

^b KemKom   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSTS; CHEMICAL REACTIONS; COMPUTATIONAL METHODS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; TRANSITION METALS;

EPOXIDATION;

ORGANIC COMPOUNDS;

EID: 0043261462     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034194r     Document Type: Article

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