Ursula Röthlisberger
D. functional (DFT) studies and hybrid QM/MM-DFT calcns. demonstrate the importance of p-p stacking interactions in detg. the structural features of two exemplary d8 palladium complexes, PdBr(p-NCC6H4)({S}-MeO-Biphep), 1, and PdBr(C6F5)({S}-MeO-Biphep), 2. ...
2001