Bonding topology, hydrogen bond strength, and vibrational chemical shifts on hetero-ring hydrogen-bonded complexes — Theoretical insights revisited

This work presents a theoretical study about the interaction strength of the hydrogen-bonded complexes C 2 H 4 O···HF, C 3 H 6 O···HF, C 2 H 4 O···HCF 3 , and C 3 H 6 O···HCF 3 at the B3LYP/6–311++G(d,p) level. The structures, hydrogen bond energies, charge transfers, and dipole moments of these com...

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