Covalent intermolecular interaction of the nitric oxide dimer (NO)2 |
NBOs of the NO monomer and dimer with high occupancies (numbers in parentheses). BD, BD*, and LP represent bond, antibond and lone pair orbitals, respectively. (a) The NBOs of the NO monomer for the electrons with α spin and β spin shown in two columns, respectively. (b) The NBOs of the NO dimer with high occupancies. |