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. 2023 Jan 12;24(2):1542. doi: 10.3390/ijms24021542
BCP Bond Critical Point
CPMD Car–Parrinello Molecular Dynamics
CVs Collective Variables
DFT Density Functional Theory
DORI Density Overlap Regions Indicator
HB Hydrogen Bond
IR Infrared Spectroscopy
LBHB Low-Barrier Hydrogen Bond
MD Molecular Dynamics
NCI Non-covalent Interactions Index
NMR Nuclear magnetic resonance
PIMD Path Integrals Molecular Dynamics
PT Proton transfer
QTAIM Quantum Theory of Atoms in Molecules
RCP Ring Critical Point
RDG Reduced Density Gradient
VDW van der Waals