Tetsuya Taketsugu

hokkaido university

H指数:56

被引数:1.1万

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Hydrogen-Assisted Ring Opening of Methylcyclohexane on Pt(111) and Ir(111): A Comparative Theoretical Study of the Reaction Mechanism

Pt(111)和Ir(111)上甲基环己烷的氢辅助开环：反应机理的比较理论研究

ChemCatChem

IF3.9

2026-05-180

PRE

Local structures and catalytic N2O decomposition properties of Ni1−xCuxCo2O4

Ni1−xCuxCo2O4的局域结构与催化N2O分解性能

Scientific Reports

IF3.9

2026-04-210

OAAI

Computational Insights into the Revised Mechanism of the Gold-Catalyzed Asymmetric Isocyanoacetate Aldol Reaction: Proton Shuttling and Protonative Carbonyl Activation under Ligand–Substrate Interactions

金催化不对称异氰基乙酸酯醛醇反应修订机制的计算机见解：配体-底物相互作用下的质子穿梭与质子化羰基活化

ACS Catalysis

IF13.1

2026-01-010

PRE

Doublet Charge Transfer Emission of Cerium(III) Complexes with Strong Electron-Accepting Ligands

铈(III)配合物与强电子受体型配体的双电荷转移发射

The Journal of Physical Chemistry Letters

IF0

2025-12-040

PRE

Nanointerface Coupling Activates Earth-Abundant Elements for Enhanced Oxygen Evolution Electrode Process

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2025-12-010

PRE

ChemOntology: A Reusable Explicit Chemical Ontology-Based Method to Expedite Reaction Path Searches

ACS CATALYSIS

IF13.1

2025-12-010

PRE

Divide-And-Conquer Extended Tight-Binding Molecular Dynamics: A General-Purpose, Very Large-Scale Quantum Molecular Dynamics Method

分治扩展紧束缚分子动力学：一种通用、超大规模量子分子动力学方法

Journal of Computational Chemistry

IF4.8

2025-10-240

PRE

Unraveling the Structural Origins of Stimulated Emission Redshift in Cyanine Dye 1122C: A Combined AIMD and Machine Learning Study

解析花青染料1122C受激发射红移的结构起源：一项结合AIMD和机器学习的研究

Phys. Chem. Chem. Phys.

IF2.9

2025-08-280

PRE

Tracking electron motion driving the Suzuki–Miyaura cross-coupling reaction

追踪驱动Suzuki–Miyaura交叉偶联反应的电子运动

Phys. Chem. Chem. Phys.

IF2.9

2025-08-100

PRE

Homoleptic copper(I)–bisphosphine complexes as photoredox catalysts

同核铜(I)–双膦配合物作为光氧化还原催化剂

Dalton Trans.

IF3.3

2025-08-040

Correction: Spiral Eu(III) coordination polymers with circularly polarized luminescence

更正：具有圆二色发光性的螺旋Eu(III)配位聚合物

Chem. Commun.

IF4.2

2025-07-230

Theoretical Insights into Ultrafast-Decaying and Long-Lived States of ortho-Nitrophenol upon Photoexcitation in the Gas Phase

气相中正硝基苯酚光激发后快速衰减和长寿命状态的理论见解

JOURNAL OF PHYSICAL CHEMISTRY LETTERS

IF4.6

2025-05-220

PRE

Bridging electron and nuclear motions in chemical reactions through electrostatic forces from reactive orbitals

通过反应性轨道的静电作用连接化学反应中的电子运动和核运动

COMMUNICATIONS CHEMISTRY

IF6.2

2025-05-190

Unraveling Reaction Path Bifurcation: Insights Into Electron Movement via Natural Reaction Orbitals

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2025-04-150

PRE

Revealing the electron driven mechanism in metal catalyzed Kumada cross coupling reaction

揭示金属催化Kumada交叉偶联反应中的电子驱动机制

SCIENTIFIC REPORTS

IF3.9

2025-02-050

OAAI

Theoretical design of nanocatalysts based on (Fe2O3)n clusters for hydrogen production from ammonia

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2025-02-040

PRE

Charge transfer emission between π- and 4f-orbitals in a trivalent europium complex

COMMUNICATIONS CHEMISTRY

IF6.2

2025-01-280

OAAI

Boron-induced transformation of ultrathin Au films into two-dimensional metallic nanostructures

NATURE COMMUNICATIONS

IF15.7

2024-12-100

OAAI

Acceleration of Reaction Space Projector Analysis Using Combinatorial Optimization: Application to Organic Chemical Reactions

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-12-090

PRE

Low-dimensional projection of reactivity classes in chemical reaction dynamics using supervised dimensionality reduction

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-10-150

PRE

Tetsuya Taketsugu

个人简介

教育背景

工作经历

荣誉奖项

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