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Toshifumi Mori
Toshifumi Mori
Institute for Materials Science and Engineering, Kyushu University
Adresse e-mail validée de cm.kyushu-u.ac.jp - Page d'accueil
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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
1492012
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
1302015
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
1072014
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
752009
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
632012
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
572018
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
502010
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
462013
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
422018
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
412014
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
392016
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
332009
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
312013
Dynamic heterogeneity in the folding/unfolding transitions of FiP35
T Mori, S Saito
The Journal of chemical physics 142 (13), 2015
252015
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
222020
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
222007
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
172014
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
162022
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
162018
3D-RISM-MP2 approach to hydration structure of Pt (II) and Pd (II) complexes: Unusual H-ahead mode vs usual O-ahead one
S Aono, T Mori, S Sakaki
Journal of Chemical Theory and Computation 12 (3), 1189-1206, 2016
142016
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