Examples of NBO in a sentence
NBO analyses con- firmed that in each case the satellite H2S ligand is attached via H-bonding.
The increased bond lengths are consistent with H-bonding, and are confirmed by an NBO analysis for this structure.
NBO analyses performed for the two structures reveal that the interactions between the cluster constituents are indeed H-bonds.
The NBO analysis reveals that the orbital occupancy of the s* antibonding orbital of the F–H fragment is 128 me, while the corresponding values for the trimer and dimer are 113 and 118 me, respectively.
The signature of H-bonding is electron density transfer from lone pair orbitals of the H-bond acceptor to the anti-bonding orbital of the H-bond donor.The NBO analysis for the Cs structure reveals significant electron density transfer from the lone pairs of the sulfur to the anti-bonding orbital of the F–H molecule (s*).