TY - BOOK ID - 146375433 TI - Intramolecular Hydrogen Bonding 2021 PY - 2021 PB - Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute DB - UniCat KW - Research & information: general KW - intramolecular interaction KW - interaction energy KW - hydrogen bond KW - intramolecular hydrogen bonds KW - deuterium isotope effects on chemical shifts KW - isotope ratios KW - hydrogen bond energies KW - intramolecular hydrogen bonding KW - high-accuracy extrapolation methods KW - QTAIM KW - non-covalent interactions KW - local vibrational modes KW - hydrogen bond (HB) KW - intramolecular hydrogen bond (IHB) KW - molecular tailoring approach (MTA) KW - fragmentation methods KW - bond energy estimation KW - noncovalent interactions KW - structures and binding energies KW - charge-transfer interactions KW - spin-spin coupling constants KW - polymorphism KW - isomerization KW - phase transition KW - nitro group KW - matrix isolation KW - IINS KW - FT-IR KW - Raman KW - X-ray KW - NQR KW - DSC KW - DFT KW - Schiff base KW - N-salicylidene aniline derivative KW - photophysical properties KW - solvatochromism KW - Hirshfeld surface analysis KW - amino-alcohols KW - α-substitution KW - beryllium bonds KW - calculated infrared spectra KW - interacting quantum atoms KW - resonance-assisted hydrogen bond KW - Schiff bases KW - inelastic incoherent neutron scattering KW - isotopic effect KW - excited-state intramolecular proton transfer KW - photochemistry KW - photobiology KW - quantum chemistry KW - molecular dynamics KW - ultrafast processes KW - gas phase KW - crystalline phase KW - MP2 KW - CCSD KW - AIM KW - SAPT KW - nuclear quantum effects KW - CPMD KW - intramolecular interaction KW - interaction energy KW - hydrogen bond KW - intramolecular hydrogen bonds KW - deuterium isotope effects on chemical shifts KW - isotope ratios KW - hydrogen bond energies KW - intramolecular hydrogen bonding KW - high-accuracy extrapolation methods KW - QTAIM KW - non-covalent interactions KW - local vibrational modes KW - hydrogen bond (HB) KW - intramolecular hydrogen bond (IHB) KW - molecular tailoring approach (MTA) KW - fragmentation methods KW - bond energy estimation KW - noncovalent interactions KW - structures and binding energies KW - charge-transfer interactions KW - spin-spin coupling constants KW - polymorphism KW - isomerization KW - phase transition KW - nitro group KW - matrix isolation KW - IINS KW - FT-IR KW - Raman KW - X-ray KW - NQR KW - DSC KW - DFT KW - Schiff base KW - N-salicylidene aniline derivative KW - photophysical properties KW - solvatochromism KW - Hirshfeld surface analysis KW - amino-alcohols KW - α-substitution KW - beryllium bonds KW - calculated infrared spectra KW - interacting quantum atoms KW - resonance-assisted hydrogen bond KW - Schiff bases KW - inelastic incoherent neutron scattering KW - isotopic effect KW - excited-state intramolecular proton transfer KW - photochemistry KW - photobiology KW - quantum chemistry KW - molecular dynamics KW - ultrafast processes KW - gas phase KW - crystalline phase KW - MP2 KW - CCSD KW - AIM KW - SAPT KW - nuclear quantum effects KW - CPMD UR - https://www.unicat.be/uniCat?func=search&query=sysid:146375433 AB - This 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. ER -