Role of Rydberg states in the photochemical dynamics of ethylene T Mori, WJ Glover, MS Schuurman, TJ Martinez The Journal of Physical Chemistry A 116 (11), 2808-2818, 2012 | 149 | 2012 |
Atomic-scale origins of slowness in the cyanobacterial circadian clock J Abe, TB Hiyama, A Mukaiyama, S Son, T Mori, S Saito, M Osako, ... Science 349 (6245), 312-316, 2015 | 130 | 2015 |
Molecular simulation of water and hydration effects in different environments: Challenges and developments for DFTB based models P Goyal, HJ Qian, S Irle, X Lu, D Roston, T Mori, M Elstner, Q Cui The Journal of Physical Chemistry B 118 (38), 11007-11027, 2014 | 110 | 2014 |
Dynamic electron correlation effect on conical intersections in photochemical ring-opening reaction of cyclohexadiene: MS-CASPT2 study T Mori, S Kato Chemical Physics Letters 476 (1-3), 97-100, 2009 | 75 | 2009 |
Between ethylene and polyenes-the non-adiabatic dynamics of cis-dienes TS Kuhlman, WJ Glover, T Mori, KB Møller, TJ Martínez Faraday discussions 157, 193-212, 2012 | 63 | 2012 |
Excited state non-adiabatic dynamics of the smallest polyene, trans 1, 3-butadiene. II. Ab initio multiple spawning simulations WJ Glover, T Mori, MS Schuurman, AE Boguslavskiy, O Schalk, A Stolow, ... The Journal of chemical physics 148 (16), 2018 | 58 | 2018 |
Conical intersections of free energy surfaces in solution: Effect of electron correlation on a protonated Schiff base in methanol solution T Mori, K Nakano, S Kato The Journal of chemical physics 133 (6), 2010 | 50 | 2010 |
Exploring the conical intersection seam: the seam space nudged elastic band method T Mori, TJ Martínez Journal of Chemical Theory and Computation 9 (2), 1155-1163, 2013 | 47 | 2013 |
Excited state non-adiabatic dynamics of the smallest polyene, trans 1, 3-butadiene. I. Time-resolved photoelectron-photoion coincidence spectroscopy AE Boguslavskiy, O Schalk, N Gador, WJ Glover, T Mori, T Schultz, ... The Journal of chemical physics 148 (16), 2018 | 43 | 2018 |
Photochemical Dynamics of Ethylene Cation C2H4+ B Joalland, T Mori, TJ Martínez, AG Suits The journal of physical chemistry letters 5 (8), 1467-1471, 2014 | 41 | 2014 |
Molecular mechanism behind the fast folding/unfolding transitions of villin headpiece subdomain: Hierarchy and heterogeneity T Mori, S Saito The Journal of Physical Chemistry B 120 (45), 11683-11691, 2016 | 39 | 2016 |
Grignard reagents in solution: Theoretical study of the equilibria and the reaction with a carbonyl compound in diethyl ether solvent T Mori, S Kato The Journal of Physical Chemistry A 113 (21), 6158-6165, 2009 | 34 | 2009 |
An explicit consideration of desolvation is critical to binding free energy calculations of charged molecules at ionic surfaces T Mori, RJ Hamers, JA Pedersen, Q Cui Journal of Chemical Theory and Computation 9 (11), 5059-5069, 2013 | 31 | 2013 |
Dynamic heterogeneity in the folding/unfolding transitions of FiP35 T Mori, S Saito The Journal of chemical physics 142 (13), 2015 | 25 | 2015 |
Learning reaction coordinates via cross-entropy minimization: Application to alanine dipeptide Y Mori, K Okazaki, T Mori, K Kim, N Matubayasi The Journal of Chemical Physics 153 (5), 2020 | 24 | 2020 |
Analytical RISM-MP2 free energy gradient method: Application to the Schlenk equilibrium of Grignard reagent T Mori, S Kato Chemical physics letters 437 (1-3), 159-163, 2007 | 22 | 2007 |
Explaining reaction coordinates of alanine dipeptide isomerization obtained from deep neural networks using Explainable Artificial Intelligence (XAI) T Kikutsuji, Y Mori, K Okazaki, T Mori, K Kim, N Matubayasi The journal of chemical physics 156 (15), 2022 | 19 | 2022 |
The critical role of dimer formation in monosaccharides binding to human serum albumin P Pongprayoon, T Mori Physical Chemistry Chemical Physics 20 (5), 3249-3257, 2018 | 17 | 2018 |
Integrated Hamiltonian Sampling: a simple and versatile method for free energy simulations and conformational sampling T Mori, RJ Hamers, JA Pedersen, Q Cui The Journal of Physical Chemistry B 118 (28), 8210-8220, 2014 | 17 | 2014 |
Photoinduced divergent deaminative borylation and hydrodeamination of primary Aromatic Amines A Shiozuka, K Sekine, T Toki, K Kawashima, T Mori, Y Kuninobu Organic letters 24 (23), 4281-4285, 2022 | 14 | 2022 |