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, (2024), (依頼原稿、印刷中).
[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., Early View (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., in press (2024).