Articles with "catalytic dft" as a keyword



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In vitro biological, catalytic, and DFT studies of some iron(III) N-ligated complexes

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Published in 2019 at "Chemical Papers"

DOI: 10.1007/s11696-019-01009-z

Abstract: Fe(III) complexes, [Fe(CH 3 CN) 6 ][X] 3 and [Fe(CH 3 CH 2 CN) 6 ][X] 3 (where X: counter anion = B{C 6 H 3 (m-CF 3 ) 2 } 4 ) − and B(C 6… read more here.

Keywords: dft studies; catalytic dft; vitro biological; biological catalytic ... See more keywords