Yuriko Aoki

kyushu university

H指数:29

被引数:3,714

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Multiscale Analysis of Amine-Containing CO₂ Capture Membrane via Dissipative Particle Dynamics Simulations Using Ab Initio Elongation Method-Based Parameters

基于从头算延伸方法参数的耗散粒子动力学模拟对含胺CO<sub>2</sub>捕集膜的多尺度分析

Carbon Energy

IF24.2

2026-09-160

OAAI

Photo-Switchable Molecular Module Programming PET Biodegradation in Aquatic Environments

光开关分子模块编程PET在 aquatic environments 中的生物降解

Advanced Functional Materials

IF19

2026-09-100

OAAI

Theoretical Examination on the Chiral Separation Mechanism of Ibuprofen on Cellulose Tris(4-methylbenzoate)

Ibuprofen在Cellulose Tris(4-methylbenzoate)上的手性分离机制的理论研究

Molecules

IF4.6

2026-03-030

OAAI

Theoretical analysis of the Norrish reaction mechanism in aliphatic polyamide

脂肪族聚酰胺中Norrish反应机理的理论分析

Phys. Chem. Chem. Phys.

IF2.9

2025-08-110

PRE

Mechanistic Study of Substituent Effect on Photoinduced O-C Bond Activation in Polycarbonate

MOLECULES

IF4.6

2025-04-190

OAAI

Through-Space/Through-Bond Energy Decomposition Analysis Clarifies the Mechanism of Transition Mutation in DNA Containing O6-Methylguanine Lesion

通过空间/通过键能量分解分析阐明了含O6-甲基鸟嘌呤损伤的DNA中转换突变的机制

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2025-04-180

PRE

Elongation Method-Based Alternating Multi-Directional Automated Property Optimization Process and Its Application

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2025-02-080

A Theoretical Exploration of the Photoinduced Breaking Mechanism of the Glycosidic Bond in Thymine Nucleotide

MOLECULES

IF4.6

2024-08-100

OAAI

Effects of fluid flow on the rate limiting for CO2 capture by an AEEA containing membrane

JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING

IF7.2

2023-10-010

PRE

Fast and Accurate Calculation of the UV-Vis Spectrum with the Modified Local Excitation Approximation

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-07-203

PRE

Multiscale investigation for CO2 capture using membrane with AEEA: Significance of fluid flow and AEEA content to CO2 permeance

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

IF5.8

2023-02-012

OAAI

Local electronic structure analysis by ab initio elongation method: A benchmark using DNA block polymers

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-05-252

Ab initio multi-level layered elongation method and its application to local interaction analysis between DNA bulge and ligand molecules

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-07-305

PREAI

Quantum chemistry-machine learning approach for predicting and elucidating molecular hyperpolarizability: Application to [2.2]paracyclophane-containing push-pull polymers

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-03-239

PREAI

A thermally robust and strongly oxidizing surface of WO3 hydrate nanowires for electrical aldehyde sensing with long-term stability

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2021-01-0113

PRE

Microscopic Hopping Mechanism of an Isolated PTCDA Molecule on a Reactive Ge(001) Surface

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2020-10-293

PREAI

Face-selective tungstate ions drive zinc oxide nanowire growth direction and dopant incorporation

COMMUNICATIONS MATERIALS

IF9.6

2020-08-1319

OAAI

Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2020-07-300

PREAI

Monovalent sulfur oxoanions enable millimeter-long single-crystallineh-WO3nanowire synthesis

NANOSCALE

IF5.1

2020-01-018

PREAI

Synthesis of Monodispersedly Sized ZnO Nanowires from Randomly Sized Seeds

NANO LETTERS

IF9.1

2019-12-2034

PREAI

Yuriko Aoki

个人简介

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