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Intramolecular Hydrogen Bonding 2021

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 method...

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Bibliographic Details
Main Author: Jabłoński, Mirosław
Format: eBook
Language:English
Published: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute 2021
Subjects:
Nitro Group
Molecular Tailoring Approach (mta)
Fragmentation Methods
Isotope Ratios
Intramolecular Interaction
Hirshfeld Surface Analysis
Matrix Isolation
Calculated Infrared Spectra
Spin-spin Coupling Constants
Bond Energy Estimation
Hydrogen Bond
N/a
Photophysical Properties
Charge-transfer Interactions
Dft
Nuclear Quantum Effects
Molecular Dynamics
Excited-state Intramolecular Proton Transfer
Local Vibrational Modes
Noncovalent Interactions
Sapt
Ft-ir
Solvatochromism
Photobiology
High-accuracy Extrapolation Methods
Aim
Interaction Energy
Intramolecular Hydrogen Bonds
Structures And Binding Energies
Dsc
Inelastic Incoherent Neutron Scattering
Isomerization
Qtaim
Isotopic Effect
Intramolecular Hydrogen Bonding
Phase Transition
N-salicylidene Aniline Derivative
Mp2
Research & Information: General / Bicssc
Cpmd
Photochemistry
Gas Phase
Crystalline Phase
Beryllium Bonds
Amino-alcohols
Quantum Chemistry
Deuterium Isotope Effects On Chemical Shifts
Intramolecular Hydrogen Bond (ihb)
Iins
Polymorphism
Hydrogen Bond Energies
α-substitution
Schiff Base
Resonance-assisted Hydrogen Bond
Hydrogen Bond (hb)
Ultrafast Processes
Schiff Bases
Nqr
Interacting Quantum Atoms
Non-covalent Interactions
Ccsd
X-ray
Raman
Online Access:
Collection: Directory of Open Access Books - Collection details see MPG.ReNa
Description
Summary: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.
Item Description:Creative Commons (cc), https://creativecommons.org/licenses/by/4.0/
Physical Description:1 electronic resource (246 p.)
ISBN:9783036525198
9783036525181
books978-3-0365-2519-8

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