An energetic quantification of inter-intramolecular interactions in the C2H2-2HF and C2H4O-2HF trimolecular hydrogen bonded complexes: DFT calculations and AIM topological parameters

The B3LYP/6-311++G(d,p) calculations and the AIM topological parameters were applied to quantify the binding energies of the C2H2-2HF and C2H4O-2HF trimolecular hydrogen bonded complexes.