Gulliver in the Country of Lilliput An Interplay of Noncovalent Interactions

• Eará dahkkit: Shenderovich, Ilya (Doaimmaheaddji)
• Materiálatiipa: Elektrovnnalaš Girjji oassi
• Giella: eaŋgalasgiella
• Almmustuhtton: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute 2021
• Fáttát: Research & information: general; solvent effect; hydrogen bond; NMR; condensed matter; polarizable continuum model; reaction field; external electric field; proton transfer; halogen bond; phosphine oxide; 31P NMR spectroscopy; IR spectroscopy; non-covalent interactions; spectral correlations; Reaction mechanism; first-principle calculation; Bader charge analysis; activation energy; transition state structure; conventional and non-conventional H-bonds; empirical Grimme corrections; lattice energy of organic salts; computation of low-frequency Raman spectra; confinement; solid-state NMR; molecular dynamics; interfaces and surfaces; substituent effect; aromaticity; adenine; Lewis acid-Lewis base interactions; tetrel bond; pnicogen bond; triel bond; electron charge shifts; proton dynamics; carboxyl group; CPMD; DFT; IINS; IR; Raman; crystal engineering; halogen bonding; azo dyes; QTAIM; dispersion; ketone-alcohol complexes; density functional theory; hydrogen bonds; molecular recognition; vibrational spectroscopy; gas phase; benchmark; pinacolone; deuteration; heavy drugs; histamine receptor; hydrogen bonding; receptor activation; n/a
• Liŋkkat: DOAB: download the publication; DOAB: description of the publication

Noncovalent interactions are the bridge between ideal gas abstraction and the real world. For a long time, they were covered by two terms: van der Waals interactions and hydrogen bonding. Both experimental and quantum chemical studies have contributed to our understanding of the nature of these inte...