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Takayanagi Lab.

Publications

2024-

[224] "Molecular dynamics simulation study of post-transition state bifurcation: A case study on the ambimodal transition state of dipolar/Diels-Alder cycloaddition", T. Murakami, Y. Kikuma, D. Hayashi, S. Ibuki, S. Nakagawa, H. Ueno, T. Takayanagi, J. Phys. Org. Chem., 37(8), e4611 (2024).

[225] "アストロケミストリーの展望:理論化学の役割と挑戦", 村上龍大, 高柳敏幸, 理論化学会誌・フロンティア, 6(3), 88-93 (2024).

[226] "Theoretical Study of the Thermal Rate Coefficients of the H3+ + C2H4 Reaction: Dynamics Study on a Full-Dimensional Potential Energy Surface", T. Murakami, S. Takahashi, Y. Kikuma, T. Takayanagi, Molecules, 29(12), 2789 (2024).

[227] "Computational study of the post-transition state dynamics for the OH + CH3OH reaction probed by photodetachment of the CH3O-(H2O) anion", T. Murakami, T. Takayanagi, Phys. Chem. Chem. Phys., 26, 19195-19206 (2024).

[228] "Temperature effects on the branching dynamics in the model ambimodal (6 + 4)/(4 + 2) intramolecular cycloaddition reaction", T. Murakami, D. Hayashi, Y. Kikuma, K. Yamaki, T. Takayanagi, J. Comput. Chem., 45(32), 2778 (2024).

[229] "Computational study on the bifurcation mechanism in the H2CO- + CH3Cl → CH3CH2O + Cl- / H2CO + CH3 + Cl- reaction: The importance of intramolecular vibrational redistributions", T. Murakami, N. Matsumoto, T. Takayanagi, Comput. Theor. Chem., 1240, 114835 (2024).

[230] "Kinetics and Ring-Polymer Molecular Dynamics Studies of the H3+ + HNCO → H2 + HNCOH+ / H2NCO+ Branching Reaction on a Developed Full-Dimensional Potential Energy Surface", T. Murakami, S. Nakagawa, H. Ota, K. Okada,T. Takayanagi, ACS Earth Space Chem., 8(11), 2294-2302 (2024).

[231] "Investigation of the Gas-Phase N2+ + CH3CN Reaction at Low Temperatures", K. Okada, S. Kawasaki, K. Sakimoto, H. A. Schuessler, T. Murakami, H. Ueno, T. Takayanagi, J. Phys. Chem. A, 129(4), 1116-1124 (2025).

[232] "Nuclear Quantum Effects in the Ionic Dissociation Dynamics of HCl on the Water Ice Cluster", T. Murakami, H. Ueno, Y. Kikuma T. Takayanagi, Molecules, 30(3), 442 (2025).

[233] "Fermi resonance in the radiative vibrational cooling dynamics of N2O+", S. Harayama, S. Kuma, N. Kimura, K. C. Chartkunchand, M. Baba, T. Murakami, T. Takayanagi, K. Yagi, T. Yamaguchi, Y. Nakano, T. Azuma, Phys. Rev. A, in press, (2025).

[234] "Attractive Force-Induced Isotope Effects through Ring-Polymer Molecular Dynamics Simulations for the Barrierless Reaction between HNCO and H3+ Isotopologues: H3+, H2D+, HD2+, and D3+", T. Murakami, H. Ota, S. Nakagawa, K. Okada, M. Tachikawa, T. Takayanagi, J. Phys. Chem. A, in press, (2025).