Fig. 5. DFT frontier molecular orbitals (MOs) of 1* (top) and 1-K* (bottom). Only α-spin orbitals are shown. The Hirshfeld atomic contributions to the MOs are given (only contributions from the carbon atoms coordinated to the uranium are reported). An isovalue of 0.04 a.u. was used. U in blue, C in grey, O in red, and H in white.
