Welcome!

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Speciality

  • Theoretical Chemistry, Computational Chemistry
  • Vibrational Spectroscopy

Study Topics

  • Fluctuating anharmonic vibrational Hamiltonian of molecules in solution based on ab Initio calculations and MD simulations (QM/MM).
  • Vibrational Dynamics ( dephasing, population relaxation ).
  • Proton transfer, hydrogen bond fluctuation.
  • Simulated study of Nonlinear infrared Spectrosocpy (Water, Proton transfer, Peptide, DNA etc).
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About This Website

This website is administrated by Tomoyuki Hayashi using a home web server with Ubuntu Linux (Gutsy) + Apache 2.0.

Contact

Tomoyuki Hayashi
Chemistry Department
University of California, Irvine, Irvine, CA 92697-2025, USA (>Map)
Tel: +1-949-824-6164
e-mail: thayashi@uci.edu