Spectroscopy and Computation of Hydrogen–Bonded Systems

Professor Marek Janusz Wójcik received his Ph. D. and habilitation from Jagiellonian University. He has been a research associate at National Research Council, Canada and University of Chicago, and has been a visiting professor at numerous universities and institutes in Japan, USA, Canada, Sweden, France, Germany, Malaysia and South Africa. He is a professor of Jagiellonian University. 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 and Car-Parrinello Simulations of Spectra of Hydrogen-Bonded Crystals. He received Chevalier Cross of the Order of Rebirth of Poland. Professor Yukihiro Ozaki received his Ph.D. in 1978 from Osaka University. He joined Kwansei Gakuin University in 1989. Since 1993 he was a professor in School of Science and Technology until the end of March, 2018. Currently, Ozaki is a professor emeritus of the 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. Prof. Ozaki received several awards including Bomem-Michelson Award (2014), Chemical Society of Japan Award (2017), The Medal with Purple Ribbon (2018), and Pittsburg Spectroscopy Award (2019). Prof. Ozaki is a Fellow of Royal Society of Chemistry, Chemical Society of Japan, and Society of Applied Spectroscopy.

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