Extended Data Table 3 Bonding σ-type NLMOs involving Cm(iii) in [Cm(pydtc)4]− (Cm-1) at 0 and 11 GPa from the CAS-SR wavefunction

From: Compression of curium pyrrolidine-dithiocarbamate enhances covalency

  1. NLMOs correspond to those with the largest contribution to the bond. Results obtained with ORCA.
  2. *Localized molecular orbital bond orders, which distinguish bonding from antibonding contributions.
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