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dc.contributor.editorJabłoński, Mirosław
dc.date.accessioned2022-01-11T13:50:09Z
dc.date.available2022-01-11T13:50:09Z
dc.date.issued2021
dc.identifierONIX_20220111_9783036525181_872
dc.identifier.urihttps://directory.doabooks.org/handle/20.500.12854/77040
dc.description.abstractThis 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.
dc.languageEnglish
dc.subject.classificationbic Book Industry Communication::G Reference, information & interdisciplinary subjects::GP Research & information: general
dc.subject.otherintramolecular interaction
dc.subject.otherinteraction energy
dc.subject.otherhydrogen bond
dc.subject.otherintramolecular hydrogen bonds
dc.subject.otherdeuterium isotope effects on chemical shifts
dc.subject.otherisotope ratios
dc.subject.otherhydrogen bond energies
dc.subject.otherintramolecular hydrogen bonding
dc.subject.otherhigh-accuracy extrapolation methods
dc.subject.otherQTAIM
dc.subject.othernon-covalent interactions
dc.subject.otherlocal vibrational modes
dc.subject.otherhydrogen bond (HB)
dc.subject.otherintramolecular hydrogen bond (IHB)
dc.subject.othermolecular tailoring approach (MTA)
dc.subject.otherfragmentation methods
dc.subject.otherbond energy estimation
dc.subject.othernoncovalent interactions
dc.subject.otherstructures and binding energies
dc.subject.othercharge-transfer interactions
dc.subject.otherspin–spin coupling constants
dc.subject.otherpolymorphism
dc.subject.otherisomerization
dc.subject.otherphase transition
dc.subject.othernitro group
dc.subject.othermatrix isolation
dc.subject.otherIINS
dc.subject.otherFT-IR
dc.subject.otherRaman
dc.subject.otherX-ray
dc.subject.otherNQR
dc.subject.otherDSC
dc.subject.otherDFT
dc.subject.otherSchiff base
dc.subject.otherN-salicylidene aniline derivative
dc.subject.otherphotophysical properties
dc.subject.othersolvatochromism
dc.subject.otherHirshfeld surface analysis
dc.subject.otheramino-alcohols
dc.subject.otherα-substitution
dc.subject.otherberyllium bonds
dc.subject.othercalculated infrared spectra
dc.subject.otherinteracting quantum atoms
dc.subject.otherresonance-assisted hydrogen bond
dc.subject.otherSchiff bases
dc.subject.otherinelastic incoherent neutron scattering
dc.subject.otherisotopic effect
dc.subject.otherexcited-state intramolecular proton transfer
dc.subject.otherphotochemistry
dc.subject.otherphotobiology
dc.subject.otherquantum chemistry
dc.subject.othermolecular dynamics
dc.subject.otherultrafast processes
dc.subject.othergas phase
dc.subject.othercrystalline phase
dc.subject.otherMP2
dc.subject.otherCCSD
dc.subject.otherAIM
dc.subject.otherSAPT
dc.subject.othernuclear quantum effects
dc.subject.otherCPMD
dc.subject.othern/a
dc.titleIntramolecular Hydrogen Bonding 2021
dc.typebook
oapen.identifier.doi10.3390/books978-3-0365-2519-8
oapen.relation.isPublishedBy46cabcaa-dd94-4bfe-87b4-55023c1b36d0
oapen.relation.isbn9783036525181
oapen.relation.isbn9783036525198
oapen.pages246
oapen.place.publicationBasel, Switzerland


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