Figure 6 . NBO donor and acceptor orbitals responsible for
intermolecular interactions of gas molecule onto MPBCP or
[La-MPBCP]+3 systems. Donor orbitals are in red
color, while acceptor orbitals are represented in blue color.
Table 5 . Donor and
acceptor orbitals for interactions from all gas molecules toward
La-MPBCP or [La-MPBCP]+3 systems.