PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 33560580-7 2021 DFT-studies and the magnitudes of the experimental (Co-Csp2)-BDE revealed relevant contributions of non-bonded interactions in aryl-cobinamides, notably steric strain between the aryl and the cobalt-corrin moieties and non-bonded interactions with and among the peripheral sidechains. Cobalt 192-198 homeobox D13 Homo sapiens 61-64 18271575-7 2008 Such BDE lowering in [CoIII(Pc*)]-Me- arises from the involvement of two electronic states: upon electron addition, a quasi-degenerate pi*Pc state is initially formed, but when the cobalt-carbon bond is stretched, the unpaired electron moves to a sigma*Co-C state and the final cleavage involves the three-electron (sigma)2(sigma*)1 bond. Cobalt 181-187 homeobox D13 Homo sapiens 5-8