LEADER 04552nam 2201057z- 450 001 9910557117203321 005 20231214133558.0 035 $a(CKB)5400000000040874 035 $a(oapen)https://directory.doabooks.org/handle/20.500.12854/68533 035 $a(EXLCZ)995400000000040874 100 $a20202105d2021 |y 0 101 0 $aeng 135 $aurmn|---annan 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aGulliver in the Country of Lilliput$eAn Interplay of Noncovalent Interactions 210 $aBasel, Switzerland$cMDPI - Multidisciplinary Digital Publishing Institute$d2021 215 $a1 electronic resource (216 p.) 311 $a3-0365-0430-3 311 $a3-0365-0431-1 330 $aNoncovalent 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. 517 $aGulliver in the Country of Lilliput 606 $aResearch & information: general$2bicssc 610 $asolvent effect 610 $ahydrogen bond 610 $aNMR 610 $acondensed matter 610 $apolarizable continuum model 610 $areaction field 610 $aexternal electric field 610 $aproton transfer 610 $ahalogen bond 610 $aphosphine oxide 610 $a31P NMR spectroscopy 610 $aIR spectroscopy 610 $anon-covalent interactions 610 $aspectral correlations 610 $aReaction mechanism 610 $afirst-principle calculation 610 $aBader charge analysis 610 $aactivation energy 610 $atransition state structure 610 $aconventional and non-conventional H-bonds 610 $aempirical Grimme corrections 610 $alattice energy of organic salts 610 $acomputation of low-frequency Raman spectra 610 $aconfinement 610 $asolid-state NMR 610 $amolecular dynamics 610 $ainterfaces and surfaces 610 $asubstituent effect 610 $aaromaticity 610 $aadenine 610 $aLewis acid-Lewis base interactions 610 $atetrel bond 610 $apnicogen bond 610 $atriel bond 610 $aelectron charge shifts 610 $aproton dynamics 610 $acarboxyl group 610 $aCPMD 610 $aDFT 610 $aIINS 610 $aIR 610 $aRaman 610 $acrystal engineering 610 $ahalogen bonding 610 $aazo dyes 610 $aQTAIM 610 $adispersion 610 $aketone-alcohol complexes 610 $adensity functional theory 610 $ahydrogen bonds 610 $amolecular recognition 610 $avibrational spectroscopy 610 $agas phase 610 $abenchmark 610 $apinacolone 610 $adeuteration 610 $aheavy drugs 610 $ahistamine receptor 610 $ahydrogen bonding 610 $areceptor activation 615 7$aResearch & information: general 700 $aShenderovich$b Ilya$4edt$01321486 702 $aShenderovich$b Ilya$4oth 906 $aBOOK 912 $a9910557117203321 996 $aGulliver in the Country of Lilliput$93034578 997 $aUNINA