TY  - GEN
AU  - Shenderovich,Ilya
AU  - Shenderovich,Ilya
TI  - Gulliver in the Country of Lilliput : An Interplay of Noncovalent Interactions
SN  - books978-3-0365-0431-5
PY  - 2021///
CY  - Basel, Switzerland
PB  - MDPI - Multidisciplinary Digital Publishing Institute
KW  - Research & information: general
KW  - bicssc
KW  - solvent effect
KW  - hydrogen bond
KW  - NMR
KW  - condensed matter
KW  - polarizable continuum model
KW  - reaction field
KW  - external electric field
KW  - proton transfer
KW  - halogen bond
KW  - phosphine oxide
KW  - 31P NMR spectroscopy
KW  - IR spectroscopy
KW  - non-covalent interactions
KW  - spectral correlations
KW  - Reaction mechanism
KW  - first-principle calculation
KW  - Bader charge analysis
KW  - activation energy
KW  - transition state structure
KW  - conventional and non-conventional H-bonds
KW  - empirical Grimme corrections
KW  - lattice energy of organic salts
KW  - computation of low-frequency Raman spectra
KW  - confinement
KW  - solid-state NMR
KW  - molecular dynamics
KW  - interfaces and surfaces
KW  - substituent effect
KW  - aromaticity
KW  - adenine
KW  - Lewis acid–Lewis base interactions
KW  - tetrel bond
KW  - pnicogen bond
KW  - triel bond
KW  - electron charge shifts
KW  - proton dynamics
KW  - carboxyl group
KW  - CPMD
KW  - DFT
KW  - IINS
KW  - IR
KW  - Raman
KW  - crystal engineering
KW  - halogen bonding
KW  - azo dyes
KW  - QTAIM
KW  - dispersion
KW  - ketone–alcohol complexes
KW  - density functional theory
KW  - hydrogen bonds
KW  - molecular recognition
KW  - vibrational spectroscopy
KW  - gas phase
KW  - benchmark
KW  - pinacolone
KW  - deuteration
KW  - heavy drugs
KW  - histamine receptor
KW  - hydrogen bonding
KW  - receptor activation
KW  - n/a
N1  - Open Access
N2  - 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 interactions. In the last decade, great progress has been made in identifying, quantifying, and visualizing noncovalent interactions. New types of interactions have been classified—their energetic and spatial properties have been tabulated. In the past, most studies were limited to analyzing the single strongest interaction in the molecular system under consideration, which is responsible for the most important structural properties of the system. Despite this limitation, such an approach often results in satisfactory approximations of experimental data. However, this requires knowledge of the structure of the molecular system and the absence of other competing interactions. The current challenge is to go beyond this limitation. This Special Issue collects ideas on how to study the interplay of noncovalent interactions in complex molecular systems including the effects of cooperation and anti-cooperation, solvation, reaction field, steric hindrance, intermolecular dynamics, and other weak but numerous impacts on molecular conformation, chemical reactivity, and condensed matter structure
UR  - https://mdpi.com/books/pdfview/book/3554
UR  - https://directory.doabooks.org/handle/20.500.12854/68533
ER  -