| 1 |
Charge distribution in bis-dioxolene radical metal complexes. Synthesis and DFT characterization of dinuclear Co(III) and Cr(III) complexes with a mixed-valent, S=1/2 semiquinone-catecholate ligand
Bencini A, Daul CA, Dei A, Mariotti F, Lee H, Shultz DA, Sorace L
Inorganic Chemistry, 40(7), 1582, 2001 |
| 2 |
Correct dissociation behavior of radical ions such as H-2(+) in density functional calculations
Chermette H, Ciofini I, Mariotti F, Daul C
Journal of Chemical Physics, 114(4), 1447, 2001 |
| 3 |
A posteriori corrections to systematic failures of standard density functionals: The dissociation of two-center three-electron systems
Chermette H, Ciofini I, Mariotti F, Daul C
Journal of Chemical Physics, 115(24), 11068, 2001 |
| 4 |
Density functional description of the early stages of the dioxygenation of [(MeC(CH2PPh2)(3))M(catecholate)](+) complexes [M = Co(III), Ir(III)]: Toward a rationalization of the catalytic mechanism of ring-opening dioxygenases
Bencini A, Bill E, Mariotti F, Totti F, Scozzafava A, Vargas A
Inorganic Chemistry, 39(7), 1418, 2000 |
