LEADER 04480nam 2201081z- 450 001 9910557663903321 005 20220111 035 $a(CKB)5400000000044867 035 $a(oapen)https://directory.doabooks.org/handle/20.500.12854/77040 035 $a(oapen)doab77040 035 $a(EXLCZ)995400000000044867 100 $a20202201d2021 |y 0 101 0 $aeng 135 $aurmn|---annan 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 00$aIntramolecular Hydrogen Bonding 2021 210 $aBasel, Switzerland$cMDPI - Multidisciplinary Digital Publishing Institute$d2021 215 $a1 online resource (246 p.) 311 08$a3-0365-2518-1 311 08$a3-0365-2519-X 330 $aThis book describes the results of both theoretical and experimental research on many topical issues in intramolecular hydrogen bonding. Its great advantage is that the presented research results have been obtained using many different techniques. Therefore, it is an excellent review of these methods, while showing their applicability to the current scientific issues regarding intramolecular hydrogen bonds. The experimental techniques used include X-ray diffraction, infrared and Raman spectroscopy (IR), nuclear magnetic resonance spectroscopy (NMR), nuclear quadrupole resonance spectroscopy (NQR), incoherent inelastic neutron scattering (IINS), and differential scanning calorimetry (DSC). The solvatochromic and luminescent studies are also described. On the other hand, theoretical research is based on ab initio calculations and the Car-Parrinello Molecular Dynamics (CPMD). In the latter case, a description of nuclear quantum effects (NQE) is also possible. This book also demonstrates the use of theoretical methods such as Quantum Theory of Atoms in Molecules (QTAIM), Interacting Quantum Atoms (IQA), Natural Bond Orbital (NBO), Non-Covalent Interactions (NCI) index, Molecular Tailoring Approach (MTA), and many others. 606 $aResearch & information: general$2bicssc 610 $aAIM 610 $aamino-alcohols 610 $aberyllium bonds 610 $abond energy estimation 610 $acalculated infrared spectra 610 $aCCSD 610 $acharge-transfer interactions 610 $aCPMD 610 $acrystalline phase 610 $adeuterium isotope effects on chemical shifts 610 $aDFT 610 $aDSC 610 $aexcited-state intramolecular proton transfer 610 $afragmentation methods 610 $aFT-IR 610 $agas phase 610 $ahigh-accuracy extrapolation methods 610 $aHirshfeld surface analysis 610 $ahydrogen bond 610 $ahydrogen bond (HB) 610 $ahydrogen bond energies 610 $aIINS 610 $ainelastic incoherent neutron scattering 610 $ainteracting quantum atoms 610 $ainteraction energy 610 $aintramolecular hydrogen bond (IHB) 610 $aintramolecular hydrogen bonding 610 $aintramolecular hydrogen bonds 610 $aintramolecular interaction 610 $aisomerization 610 $aisotope ratios 610 $aisotopic effect 610 $alocal vibrational modes 610 $amatrix isolation 610 $amolecular dynamics 610 $amolecular tailoring approach (MTA) 610 $aMP2 610 $aN-salicylidene aniline derivative 610 $an/a 610 $anitro group 610 $anon-covalent interactions 610 $anoncovalent interactions 610 $aNQR 610 $anuclear quantum effects 610 $aphase transition 610 $aphotobiology 610 $aphotochemistry 610 $aphotophysical properties 610 $apolymorphism 610 $aQTAIM 610 $aquantum chemistry 610 $aRaman 610 $aresonance-assisted hydrogen bond 610 $aSAPT 610 $aSchiff base 610 $aSchiff bases 610 $asolvatochromism 610 $aspin-spin coupling constants 610 $astructures and binding energies 610 $aultrafast processes 610 $aX-ray 610 $a?-substitution 615 7$aResearch & information: general 700 $aJab?on?ski$b Miros?aw$4edt$01325186 702 $aJab?on?ski$b Miros?aw$4oth 906 $aBOOK 912 $a9910557663903321 996 $aIntramolecular Hydrogen Bonding 2021$93036660 997 $aUNINA