Gulliver in the Country of Lilliput: An Interplay of Noncovalent Interactions (MDPI - Multidisciplinary Digital Publishing Institute, 2021)
Keywords: 31P NMR spectroscopy; activation energy; adenine; aromaticity; azo dyes; Bader charge analysis; benchmark; carboxyl group; computation of low-frequency Raman spectra; condensed matter; confinement; conventional and non-conventional H-bonds; CPMD; crystal engineering; density functional theory; deuteration; DFT; dispersion; electron charge shifts; empirical Grimme corrections; external electric field; first-principle calculation; gas phase; halogen bond; halogen bonding; heavy drugs; histamine receptor; hydrogen bond; hydrogen bonding; hydrogen bonds; IINS; interfaces and surfaces; IR spectroscopy; ketone–alcohol complexes; lattice energy of organic salts; Lewis acid–Lewis base interactions; molecular dynamics; molecular recognition; n/a; NMR; non-covalent interactions; phosphine oxide; pinacolone; pnicogen bond; polarizable continuum model; proton dynamics; proton transfer; QTAIM; Raman; reaction field; Reaction mechanism; receptor activation; Reference, Information and Interdisciplinary subjects; Research and information: general; solid-state NMR; solvent effect; spectral correlations; substituent effect; tetrel bond; transition state structure; triel bond; vibrational spectroscopy