Pub. Date : 2015 Dec 21
PMID : 26636830
1 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
1 | Both correlated CASSCF/NEVPT2 and spin-unrestricted B3LYP-based DFT calculations show a significant delocalization of the spin density from the Co(I) dxz,yz orbitals toward the empty pi* orbitals located on the two central pyridine fragments in the trans position. | pyridine | mitochondrially encoded cytochrome c oxidase I | Homo sapiens |