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Gulliver in the Country of Lilliput

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...

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Format: Online
Sprog:engelsk
Udgivet: MDPI - Multidisciplinary Digital Publishing Institute 2021
Fag:
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
thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general
Online adgang:ONIX_20210501_9783036504308_279
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