Kiyoshi Yagi

Unidirectional Electronic Ring Current Driven by a Few Cycle Circularly Polarized Laser Pulse:  Quantum Model Simulations for Mg−Porphyrin

Ingo Barth, J. Manz, Yasuteru Shigeta et al. · Journal of the American Chemical Society · 2006 · 262 citations

Optical Pumping, Photonics, Engineering +14

<i>Ab initio</i> vibrational state calculations with a quartic force field: Applications to H2CO, C2H4, CH3OH, CH3CCH, and C6H6

Kiyoshi Yagi, Kimihiko Hirao, Tetsuya Taketsugu et al. · The Journal of Chemical Physics · 2004 · 175 citations

Quartic Force Field, Engineering, Polyatomic Molecules +12

Direct vibrational self-consistent field method: Applications to H2O and H2CO

Kiyoshi Yagi, Tetsuya Taketsugu, Kimihiko Hirao et al. · The Journal of Chemical Physics · 2000 · 160 citations

Engineering, Computational Chemistry, Chemistry +17

General Design Strategy to Precisely Control the Emission of Fluorophores via a Twisted Intramolecular Charge Transfer (TICT) Process

Kenjiro Hanaoka, Shimpei Iwaki, Kiyoshi Yagi et al. · Journal of the American Chemical Society · 2022 · 140 citations

Vibrational quasi-degenerate perturbation theory: applications to fermi resonance in CO2, H2CO, and C6H6

Kiyoshi Yagi, So Hirata, Kimihiko Hirao · Physical Chemistry Chemical Physics · 2008 · 122 citations