Detail Information
Publications
Water cluster anions studied by the long-range corrected density functional theoryKiyoshi Yagi
Department of Applied Chemistry, School of Engineering, The University of Tokyo, Tokyo 113 8656, Japan
J Phys Chem A 112:9845-53. 2008..R. R.; Bragg,A. E.; Kammrath, A.; Cheshnovsky, O.; Neumark, D. M. Science 2005, 307, 93)...
First-principles quantum calculations on the infrared spectrum and vibrational dynamics of the guanine-cytosine base pairKiyoshi Yagi
Department of Applied Chemistry, School of Engineering, University of Tokyo, 7 3 1 Bunkyo, Hongo, Tokyo, Japan
Chemphyschem 10:1442-4. 2009..Vibrational resonance plays a vital role in manifesting a broad infrared band (>300 cm(-1)) and ultrafast vibrational energy relaxation (<100 femtoseconds) of the intermolecular NH stretching vibrations (see spectra)...
Vibrational quasi-degenerate perturbation theory: applications to fermi resonance in CO2, H2CO, and C6H6Kiyoshi Yagi
Department of Applied Chemistry, School of Engineering, The University of Tokyo, Tokyo 113 8656, Japan
Phys Chem Chem Phys 10:1781-8. 2008....
