Folgen
Tetsuya Taketsugu
Tetsuya Taketsugu
Bestätigte E-Mail-Adresse bei sci.hokudai.ac.jp
Titel
Zitiert von
Zitiert von
Jahr
Intrinsic reaction coordinate: Calculation, bifurcation, and automated search
S Maeda, Y Harabuchi, Y Ono, T Taketsugu, K Morokuma
International Journal of Quantum Chemistry 115 (5), 258-269, 2015
2512015
Boron nitride nanosheet on gold as an electrocatalyst for oxygen reduction reaction: theoretical suggestion and experimental proof
K Uosaki, G Elumalai, H Noguchi, T Masuda, A Lyalin, A Nakayama, ...
Journal of the American Chemical Society 136 (18), 6542-6545, 2014
2352014
Spectroscopic tracking of structural evolution in ultrafast stilbene photoisomerization
S Takeuchi, S Ruhman, T Tsuneda, M Chiba, T Taketsugu, T Tahara
Science 322 (5904), 1073-1077, 2008
2132008
Ab initio vibrational state calculations with a quartic force field: Applications to and
K Yagi, K Hirao, T Taketsugu, MW Schmidt, MS Gordon
The Journal of chemical physics 121 (3), 1383-1389, 2004
1812004
Direct vibrational self-consistent field method: Applications to and
K Yagi, T Taketsugu, K Hirao, MS Gordon
The Journal of Chemical Physics 113 (3), 1005-1017, 2000
1662000
Exploring transition state structures for intramolecular pathways by the artificial force induced reaction method
S Maeda, T Taketsugu, K Morokuma
Journal of computational chemistry 35 (2), 166-173, 2014
1422014
From graphene nanoribbons on Cu (111) to nanographene on Cu (110): critical role of substrate structure in the bottom-up fabrication strategy
KA Simonov, NA Vinogradov, AS Vinogradov, AV Generalov, ...
ACS nano 9 (9), 8997-9011, 2015
1292015
Artificial force induced reaction (AFIR) method for exploring quantum chemical potential energy surfaces
S Maeda, Y Harabuchi, M Takagi, T Taketsugu, K Morokuma
The Chemical Record 16 (5), 2232-2248, 2016
1212016
Luminescent mechanochromic 9-anthryl gold (I) isocyanide complex with an emission maximum at 900 nm after mechanical stimulation
T Seki, N Tokodai, S Omagari, T Nakanishi, Y Hasegawa, T Iwasa, ...
Journal of the American Chemical Society 139 (19), 6514-6517, 2017
1172017
Generation of full-dimensional potential energy surface of intramolecular hydrogen atom transfer in malonaldehyde and tunneling dynamics
K Yagi, T Taketsugu, K Hirao
The Journal of Chemical Physics 115 (23), 10647-10655, 2001
1172001
Functionalization of monolayer h-BN by a metal support for the oxygen reduction reaction
A Lyalin, A Nakayama, K Uosaki, T Taketsugu
The Journal of Physical Chemistry C 117 (41), 21359-21370, 2013
1142013
Ab initio molecular dynamics simulation of photoisomerization in azobenzene in the state
Y Ootani, K Satoh, A Nakayama, T Noro, T Taketsugu
The Journal of chemical physics 131 (19), 194306, 2009
1122009
Nonradiative deactivation mechanisms of uracil, thymine, and 5-fluorouracil: A comparative ab initio study
S Yamazaki, T Taketsugu
The Journal of Physical Chemistry A 116 (1), 491-503, 2012
972012
From roaming atoms to hopping surfaces: mapping out global reaction routes in photochemistry
S Maeda, T Taketsugu, K Ohno, K Morokuma
Journal of the american chemical society 137 (10), 3433-3445, 2015
942015
Defect-induced efficient dry reforming of methane over two-dimensional Ni/h-boron nitride nanosheet catalysts
Y Cao, P Maitarad, M Gao, T Taketsugu, H Li, T Yan, L Shi, D Zhang
Applied Catalysis B: Environmental 238, 51-60, 2018
932018
Theoretical predictions for hexagonal BN based nanomaterials as electrocatalysts for the oxygen reduction reaction
A Lyalin, A Nakayama, K Uosaki, T Taketsugu
Physical Chemistry Chemical Physics 15 (8), 2809-2820, 2013
922013
Single-molecule resonance Raman effect in a plasmonic nanocavity
RB Jaculbia, H Imada, K Miwa, T Iwasa, M Takenaka, B Yang, E Kazuma, ...
Nature nanotechnology 15 (2), 105-110, 2020
912020
Catalytic Activity of Au and Au2 on the h-BN Surface: Adsorption and Activation of O2
M Gao, A Lyalin, T Taketsugu
The Journal of Physical Chemistry C 116 (16), 9054-9062, 2012
842012
CO oxidation on h-BN supported Au atom
M Gao, A Lyalin, T Taketsugu
The Journal of chemical physics 138 (3), 034701, 2013
812013
Theoretical study of first-row transition metal oxide cations
Y Nakao, K Hirao, T Taketsugu
The Journal of Chemical Physics 114 (18), 7935-7940, 2001
802001
Das System kann den Vorgang jetzt nicht ausführen. Versuchen Sie es später erneut.
Artikel 1–20