T
Tetsuya Taketsugu
Researcher at Hokkaido University
Publications - 318
Citations - 8212
Tetsuya Taketsugu is an academic researcher from Hokkaido University. The author has contributed to research in topics: Excited state & Ab initio. The author has an hindex of 47, co-authored 285 publications receiving 6747 citations. Previous affiliations of Tetsuya Taketsugu include Iowa State University & National Institute for Materials Science.
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Intrinsic reaction coordinate: Calculation, bifurcation, and automated search
TL;DR: The intrinsic reaction coordinate (IRC) approach has been used extensively in quantum chemical analysis and prediction of the mechanism of chemical reactions as mentioned in this paper, which gives a unique connection from a given transition structure to local minima of the reactant and product sides.
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Boron Nitride Nanosheet on Gold as an Electrocatalyst for Oxygen Reduction Reaction: Theoretical Suggestion and Experimental Proof
Kohei Uosaki,Kohei Uosaki,Ganesan Elumalai,Ganesan Elumalai,Hidenori Noguchi,Hidenori Noguchi,Takuya Masuda,Andrey Lyalin,Akira Nakayama,Akira Nakayama,Tetsuya Taketsugu,Tetsuya Taketsugu +11 more
TL;DR: It is experimentally proved that overpotential for ORR at the gold electrode is significantly reduced by depositing BN nanosheets, demonstrating the importance of BN-substrate interaction for h-BN to act as the ORR electrocatalyst.
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Spectroscopic tracking of structural evolution in ultrafast stilbene photoisomerization.
TL;DR: In this paper, transient impulsive Raman spectra were recorded during ultrafast photoisomerization of cis-stilbene in solution, showing a gradual frequency shift of a low-frequency spectator vibration, reflecting changes in the restoring force along this coordinate throughout the isomerization.
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Ab initio vibrational state calculations with a quartic force field: applications to H2CO, C2H4, CH3OH, CH3CCH, and C6H6.
TL;DR: N-mode coupling representations of the quartic force field (nMR-QFF) are presented, which include terms up to n normal coordinate couplings in a fourth-order polynomial potential energy function, and will help quantitative evaluations of vibrational energies of a general molecule with a reasonable computational cost.
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Direct Vibrational Self-Consistent Field Method: Applications to H2O and H2CO
TL;DR: In this paper, the authors developed a direct methodology for vibrational state calculations by examining the accuracy and applicability of two approximate potential energy surfaces (PES), a quartic force field (QFF), and the PES determined by the modified-Shepard interpolation method (Int-PES).