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