Yuriko Aoki

Kyushu University — Japan

Physics and Astronomy · Physical Sciences

29h-index3.7kcitations259works0.92yr avg
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Research Topics

Advanced Chemical Physics Studies(59), Synthesis and Properties of Aromatic Compounds(33), Nonlinear Optical Materials Research(31), Photochemistry and Electron Transfer Studies(31), Magnetism in coordination complexes(21)

Publications259 total

Theoretical Examination on the Chiral Separation Mechanism of Ibuprofen on Cellulose Tris(4-methylbenzoate)
Molecules·2025Open Access
Application of Elongation Method-Based Alternating Property Optimization: (Hyper)polarizability of Substituted Polyfuran
Molecules·2025· 1 citedOpen Access
Mechanistic Study of Substituent Effect on Photoinduced O-C Bond Activation in Polycarbonate
Molecules·2025Open Access
Through‐Space/Through‐Bond Energy Decomposition Analysis Clarifies the Mechanism of Transition Mutation in DNA Containing O6‐Methylguanine Lesion
Journal of Computational Chemistry·2025Open Access
Elongation Method‐Based Alternating Multi‐Directional Automated Property Optimization Process and Its Application
Journal of Computational Chemistry·2025· 2 cited
Theoretical analysis of the Norrish reaction mechanism in aliphatic polyamide
Physical Chemistry Chemical Physics·2025
Photodegradation Pathways of Aliphatic Polyamide through Conical Intersection between Ground and Excited States
The Journal of Physical Chemistry A·2024· 4 citedOpen Access
A Theoretical Exploration of the Photoinduced Breaking Mechanism of the Glycosidic Bond in Thymine Nucleotide
Molecules·2024Open Access
Theoretical design of durable and strong polycarbonates against photodegradation
Physical Chemistry Chemical Physics·2023· 2 cited
Effects of fluid flow on the rate limiting for CO2 capture by an AEEA containing membrane
Journal of environmental chemical engineering·2023· 1 citedOpen Access
Fast and Accurate Calculation of the UV–Vis Spectrum with the Modified Local Excitation Approximation
Journal of Chemical Theory and Computation·2023· 5 cited
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·2022· 3 cited
Localization Scheme for the Elongation Method in the Presence of an Electric Field
2022
Performance of the Elongation Method for Large Systems
2022
Local electronic structure analysis by <i>ab initio</i> elongation method: A benchmark using DNA block polymers
The Journal of Chemical Physics·2022· 3 cited
Why does 2-(2-aminoethylamino)ethanol have superior CO<sub>2</sub> separation performance to monoethanolamine? A computational study
Physical Chemistry Chemical Physics·2022· 13 cited
Multiscale Investigation for Co2 Capture Using Membrane with Aeea: Significance of Fluid Flow and Aeea Content to Co2 Permeance
SSRN Electronic Journal·2022Open Access
Computational approach for investigating the mechanism of carbon dioxide interaction by 2-(2-aminoethylamino)ethanol: A significant role of water molecule
Chemical Physics Letters·2021· 12 cited
Theoretical Analysis of Properties of Ground and Excited States for Photodissociation of the C–O Bond in Polycarbonates
The Journal of Physical Chemistry A·2021· 5 cited
<i>Ab initio</i> multi-level layered elongation method and its application to local interaction analysis between DNA bulge and ligand molecules
The Journal of Chemical Physics·2021· 7 cited
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Frequent Co-authors

Feng Long Gu(24), Akira Imamura(17), Jacek Korchowiec(7), Di Wu(6), Zhi‐Ru Li(5), Marcin Makowski(5), Wei Chen(4), Bernard Kirtman(4), Kazuki Nagashima(4), Guozhu Zhang(4), Takuro Hosomi(4), Masaki Kanai(4), Wataru Mizukami(4), Tsunaki Takahashi(4), Takao Yasui(4), Yoshinobu Baba(4), Takeshi Yanagida(4), Yuuichi Orimoto(4), Anna V. Pomogaeva(4), Hong-Liang Xu(3)