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Intrinsic reaction coordinate: Calculation, bifurcation, and automated search
Intrinsic reaction coordinate: Calculation, bifurcation, and automated search
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Intrinsic reaction coordinate: Calculation, bifurcation, and automated search

Maeda, Satoshi ; Harabuchi, Yu ; Ono, Yuriko ; Taketsugu, Tetsuya ; Morokuma, Keiji

International journal of quantum chemistry, 2015-03, Vol.115 (5), p.258-269 [Periódico revisado por pares]

Hoboken: Blackwell Publishing Ltd

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Exploring transition state structures for intramolecular pathways by the artificial force induced reaction method
Exploring transition state structures for intramolecular pathways by the artificial force induced reaction method
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Exploring transition state structures for intramolecular pathways by the artificial force induced reaction method

Maeda, Satoshi ; Taketsugu, Tetsuya ; Morokuma, Keiji

Journal of computational chemistry, 2014-01, Vol.35 (2), p.166-173 [Periódico revisado por pares]

United States: Blackwell Publishing Ltd

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Doping‐Mediated Energy‐Level Engineering of M@Au12 Superatoms (M=Pd, Pt, Rh, Ir) for Efficient Photoluminescence and Photocatalysis
Doping‐Mediated Energy‐Level Engineering of M@Au12 Superatoms (M=Pd, Pt, Rh, Ir) for Efficient Photoluminescence and Photocatalysis
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Doping‐Mediated Energy‐Level Engineering of M@Au12 Superatoms (M=Pd, Pt, Rh, Ir) for Efficient Photoluminescence and Photocatalysis

Hirai, Haru ; Takano, Shinjiro ; Nakashima, Takuya ; Iwasa, Takeshi ; Taketsugu, Tetsuya ; Tsukuda, Tatsuya

Angewandte Chemie International Edition, 2022-09, Vol.61 (36), p.e202207290-n/a [Periódico revisado por pares]

Germany: Wiley Subscription Services, Inc

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4
Photoluminescence of Doped Superatoms M@Au12 (M = Ru, Rh, Ir) Homoleptically Capped by (Ph2)PCH2P(Ph2): Efficient Room-Temperature Phosphorescence from Ru@Au12
Photoluminescence of Doped Superatoms M@Au12 (M = Ru, Rh, Ir) Homoleptically Capped by (Ph2)PCH2P(Ph2): Efficient Room-Temperature Phosphorescence from Ru@Au12
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Photoluminescence of Doped Superatoms M@Au12 (M = Ru, Rh, Ir) Homoleptically Capped by (Ph2)PCH2P(Ph2): Efficient Room-Temperature Phosphorescence from Ru@Au12

Takano, Shinjiro ; Hirai, Haru ; Nakashima, Takuya ; Iwasa, Takeshi ; Taketsugu, Tetsuya ; Tsukuda, Tatsuya

Journal of the American Chemical Society, 2021-07, Vol.143 (28), p.10560-10564 [Periódico revisado por pares]

American Chemical Society

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5
Single-molecule resonance Raman effect in a plasmonic nanocavity
Single-molecule resonance Raman effect in a plasmonic nanocavity
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Single-molecule resonance Raman effect in a plasmonic nanocavity

Jaculbia, Rafael B ; Imada, Hiroshi ; Miwa, Kuniyuki ; Iwasa, Takeshi ; Takenaka, Masato ; Yang, Bo ; Kazuma, Emiko ; Hayazawa, Norihiko ; Taketsugu, Tetsuya ; Kim, Yousoo

Nature nanotechnology, 2020-02, Vol.15 (2), p.105-110 [Periódico revisado por pares]

England: Nature Publishing Group

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6
Quantum-to-Classical Transition of Proton Transfer in Potential-Induced Dioxygen Reduction
Quantum-to-Classical Transition of Proton Transfer in Potential-Induced Dioxygen Reduction
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Quantum-to-Classical Transition of Proton Transfer in Potential-Induced Dioxygen Reduction

Sakaushi, Ken ; Lyalin, Andrey ; Taketsugu, Tetsuya ; Uosaki, Kohei

Physical review letters, 2018-12, Vol.121 (23), p.236001-236001, Article 236001 [Periódico revisado por pares]

United States: American Physical Society

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7
Twist of CC Bond Plays a Crucial Role in the Quenching of AIE-Active Tetraphenylethene Derivatives in Solution
Twist of CC Bond Plays a Crucial Role in the Quenching of AIE-Active Tetraphenylethene Derivatives in Solution
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Twist of CC Bond Plays a Crucial Role in the Quenching of AIE-Active Tetraphenylethene Derivatives in Solution

Kokado, Kenta ; Machida, Takashi ; Iwasa, Takeshi ; Taketsugu, Tetsuya ; Sada, Kazuki

Journal of physical chemistry. C, 2018-01, Vol.122 (1), p.245-251 [Periódico revisado por pares]

American Chemical Society

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8
Boron Nitride Nanosheet on Gold as an Electrocatalyst for Oxygen Reduction Reaction: Theoretical Suggestion and Experimental Proof
Boron Nitride Nanosheet on Gold as an Electrocatalyst for Oxygen Reduction Reaction: Theoretical Suggestion and Experimental Proof
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Boron Nitride Nanosheet on Gold as an Electrocatalyst for Oxygen Reduction Reaction: Theoretical Suggestion and Experimental Proof

Uosaki, Kohei ; Elumalai, Ganesan ; Noguchi, Hidenori ; Masuda, Takuya ; Lyalin, Andrey ; Nakayama, Akira ; Taketsugu, Tetsuya

Journal of the American Chemical Society, 2014-05, Vol.136 (18), p.6542-6545 [Periódico revisado por pares]

United States: American Chemical Society

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9
Theoretical investigations on hydrogen peroxide decomposition in aquo
Theoretical investigations on hydrogen peroxide decomposition in aquo
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Theoretical investigations on hydrogen peroxide decomposition in aquo

Tsuneda, Takao ; Taketsugu, Tetsuya

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (38), p.24992-24999 [Periódico revisado por pares]

England: Royal Society of Chemistry

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10
Functionalization of Monolayer h‑BN by a Metal Support for the Oxygen Reduction Reaction
Functionalization of Monolayer h‑BN by a Metal Support for the Oxygen Reduction Reaction
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Functionalization of Monolayer h‑BN by a Metal Support for the Oxygen Reduction Reaction

Lyalin, Andrey ; Nakayama, Akira ; Uosaki, Kohei ; Taketsugu, Tetsuya

Journal of physical chemistry. C, 2013-10, Vol.117 (41), p.21359-21370 [Periódico revisado por pares]

Columbus, OH: American Chemical Society

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