| Fluorescence and chemiluminescence properties of indolylmaleimides: experimental and theoretical studies M Nakazono, A Jinguji, S Nanbu, R Kuwano, Z Zheng, K Saita, ... Physical Chemistry Chemical Physics 12 (33), 9783-9793, 2010 | 18 | 2010 |
| Photochemical dynamics of indolylmaleimide derivatives T Murakami, M Nakazono, A Kondorskiy, T Ishida, S Nanbu Physical Chemistry Chemical Physics 14 (32), 11546-11555, 2012 | 17 | 2012 |
| Accurate quantum molecular dynamics for multidimensional systems by the basis expansion leaping multi-configuration Gaussian (BEL MCG) method T Murakami, TJ Frankcombe The Journal of Chemical Physics 149 (13), 2018 | 9 | 2018 |
| Ring-Polymer Molecular Dynamics and Kinetics for the H– + C2H2 → H2 + C2H– Reaction Using the Full-Dimensional Potential Energy Surface T Murakami, R Iida, Y Hashimoto, Y Takahashi, S Takahashi, ... The Journal of Physical Chemistry A 126 (49), 9244-9258, 2022 | 8 | 2022 |
| Dynamics study of the post-transition-state-bifurcation process of the (HCOOH) H+→ CO+ H 3 O+/HCO++ H 2 O dissociation: application of machine-learning techniques T Murakami, S Ibuki, Y Hashimoto, Y Kikuma, T Takayanagi Physical Chemistry Chemical Physics 25 (20), 14016-14027, 2023 | 6 | 2023 |
| Non-adiabatic quantum molecular dynamics by the basis expansion leaping multi-configuration Gaussian (BEL MCG) method: Multi-set and single-set formalisms T Murakami, TJ Frankcombe The Journal of Chemical Physics 150 (14), 2019 | 6 | 2019 |
| Machine learning‐assisted study of correlation between post‐transition‐state bifurcation and initial phase information at the ambimodal transition state T Murakami, Y Kikuma, S Ibuki, N Matsumoto, K Ogino, Y Hashimoto, ... Journal of Physical Organic Chemistry 36 (11), e4561, 2023 | 5 | 2023 |
| Molecular dynamics simulations and machine-learning assisted study of the reaction path bifurcation: Application to the intramolecular Diels–Alder cycloaddition between … T Murakami, S Ibuki, T Takayanagi Computational and Theoretical Chemistry 1227, 114239, 2023 | 5 | 2023 |
| Theoretical Calculations of the Thermal Rate Coefficients for the Interstellar NH3+ + H2 → NH4+ + H Reaction on a New Δ-Machine Learning Potential Energy … Y Hashimoto, T Takayanagi, T Murakami ACS Earth and Space Chemistry 7 (3), 623-631, 2023 | 5 | 2023 |
| Ring‐polymer Molecular Dynamics Simulation for the Adsorption of H2 on Ice Clusters (H2O)n (n=8, 10, and 12) T Murakami, K Ogino, Y Hashimoto, T Takayanagi ChemPhysChem 24 (10), e202200939, 2023 | 4 | 2023 |
| Theoretical study of ultraviolet induced photodissociation dynamics of sulfuric acid T Murakami, A Ohta, T Suzuki, K Ikeda, SO Danielache, S Nanbu Chemical Physics 452, 17-24, 2015 | 4 | 2015 |
| Interstellar Benzene Formation Mechanisms via Acetylene Cyclotrimerization Catalyzed by Fe+ Attached to Water Ice Clusters: Quantum Chemistry Calculation Study T Murakami, T Takayanagi Molecules 27 (22), 7767, 2022 | 3 | 2022 |
| Triplet-quintet spin-crossover efficiency in β-hydrogen transfer between Fe (C2H5)+ and HFe (C2H4)+ T Murakami, T Takayanagi Computational and Theoretical Chemistry 1217, 113888, 2022 | 3 | 2022 |
| On adduct formation and reactivity in the OCS+ OH reaction: A combined theoretical and experimental study JA Schmidt, M Kyte, FF Østerstrøm, LMT Joelsson, HC Knap, S Jørgensen, ... Chemical Physics Letters 675, 111-117, 2017 | 3 | 2017 |
| 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, ... Journal of Physical Organic Chemistry, e4611, 2024 | 1 | 2024 |
| Possible Roles of Transition Metal Cations in the Formation of Interstellar Benzene via Catalytic Acetylene Cyclotrimerization T Murakami, N Matsumoto, T Fujihara, T Takayanagi Molecules 28 (21), 7454, 2023 | 1 | 2023 |
| The importance of nuclear dynamics in reaction mechanisms of acetylene cyclotrimerization catalyzed by Fe+-compounds T Murakami, N Matsumoto, T Takayanagi, T Fujihara Journal of Organometallic Chemistry 987, 122643, 2023 | 1 | 2023 |
| 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 Computational and Theoretical Chemistry, 114835, 2024 | | 2024 |
| 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 | | 2024 |
| 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 Journal of Computational Chemistry, 2024 | | 2024 |
