Spectroscopy and Computation of Hydrogen-Bonded Systems (eBook, PDF)

Redaktion: Wójcik, Marek J.; Ozaki, Yukihiro

• Format: PDF

Produktbeschreibung

Reflects the polymorphic nature of hydrogen bonding, having the advantage of bringing together the latest experimental and computional work in the field.

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Produktdetails

• Verlag: Wiley-VCH
• Seitenzahl: 544
• Erscheinungstermin: 7. Dezember 2023
• Englisch
• ISBN-13: 9783527834891
• Artikelnr.: 68207646

Autorenporträt

Professor Marek J. Wójcik received his PhD and habilitation from Jagiellonian University, Poland. His important contributions include quantum-mechanical models for spectra of hydrogen-bonded systems, theoretical modeling of vibrational spectra of water, aqueous ionic solutions and ices, theoretical studies of multidimensional proton tunneling, Car-Parrinello and Born-Oppenheimer simulations of spectra of hydrogen-bonded crystals. Professor Yukihiro Ozaki received his PhD in 1978 from Osaka University, Japan. He is Professor Emeritus and University Fellow of Kwansei Gakuin University. He has guest professor or scientist positions at Peking University, Kobe University, Riken, and Toyota Physical and Chemical Research Institute. He has been involved in studies of a wide range of molecular spectroscopy, covering from far-ultraviolet to far-infrared/Terahertz spectroscopy and Raman spectroscopy.

Inhaltsangabe

THEORY
Linear Response Theory Applications to IR Spectra of H-Bonded Cyclic Dimers Taking into Account the Surrounding
Dynamic Interactions Shaping Vibrational Spectra of Hydrogen-Bonded Systems
On the Fly Molecular Dynamics Approach to the Tunneling Splitting Due to Intramolecular Proton Transfer

SPECTROSCOPY
Spectroscopic Signatures of Low-Barrier Hydrogen Bonding in Neutral Species
Excess Spectroscopy of Hydrogen Bond
Intramolecular Hydrogen Bonding in Porphyrin Isomers
Isotope Effects in Hydrogen Bond Research
Relevance of Intramolecular Interactions in Shaping the Potential Energy Surfaces and the Reactivity of a Series of Substituted Aromtic Molecules
Hydrogen Bonding from Perspective of Overtones and Combination Modes: Near-Infrared Spectroscopic Study
Direct Observation and Kinetic Mapping of Point-to-Point Proton Transfer of a Hydroxy-Photoacid to Multiple (Competing) Intramolecular Protonation Sites
Molecular Beam Microwave Spectroscopic Investigation of Hydrogen Bonds in Isolation
IR and NMR Spectral Diagnostics of Hydrogen Bond Energy and Geometry
ATR-Far-Ultraviolet Spectroscopy Holds Unique Advantages for Investigating Hydrogen Bondings and Intermolecular Interactions of Molecules in Condensed Phase
Water Hydrogen Bond Network and Hydrophobic Effect
Hydrogen-Bonded Chains in Foldamer Structure and Dynamics