IR, Raman spectroscopic, DFT, AIM and NCI characterization of O-H‧‧‧O/π‧‧‧π bonds in dimer and trimer species as computed from MD simulations in water for Protocatechuic acid

Bhovi, Jyoti; Tonannavar, J.; Tonannavar, Jayashree J.

doi:10.1016/j.molstruc.2023.137077

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IR, Raman spectroscopic, DFT, AIM and NCI characterization of O-H‧‧‧O/π‧‧‧π bonds in dimer and trimer species as computed from MD simulations in water for Protocatechuic acid

Cited by 3 publications

References 41 publications

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