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Physical Chemistry Chemical Physics : PCCP|December 11, 2023
Theoretical design of durable and strong polycarbonates against photodegradationXiao Huang, Yuuichi Orimoto, Yuriko AokiJournal of Chemical Theory and Computation|July 20, 2023
Fast and Accurate Calculation of the UV-Vis Spectrum with the Modified Local Excitation ApproximationDenis Mashkovtsev, Yuuichi Orimoto, Yuriko AokiThe Journal of Chemical Physics|June 1, 2022
Local electronic structure analysis by ab initio elongation method: A benchmark using DNA block polymersYuuichi Orimoto, Keisuke Hisama, Yuriko AokiThe Journal of Physical Chemistry. A|February 5, 2009
Absorption spectra of estradiol and tryptophan constructed by the statistical and elongation methodsVladimir Pomogaev, Anna Pomogaeva, Yuriko AokiMolecules (Basel, Switzerland)|September 13, 2025
Theoretical Examination on the Chiral Separation Mechanism of Ibuprofen on Cellulose Tris(4-methylbenzoate)Xiao Huang, Yuuichi Orimoto, Yuriko AokiJournal of Computational Chemistry|February 8, 2025
Elongation Method-Based Alternating Multi-Directional Automated Property Optimization Process and Its ApplicationShichen Lin, Yuuichi Orimoto, Yuriko AokiMolecules (Basel, Switzerland)|August 29, 2024
A Theoretical Exploration of the Photoinduced Breaking Mechanism of the Glycosidic Bond in Thymine NucleotideXiao Huang, Yuuichi Orimoto, Yuriko AokiPhysical Chemistry Chemical Physics : PCCP|July 10, 2025
Theoretical analysis of the Norrish reaction mechanism in aliphatic polyamideJingcheng Sang, Yuuichi Orimoto, Yuriko AokiJournal of Computational Chemistry|April 18, 2025
Through-Space/Through-Bond Energy Decomposition Analysis Clarifies the Mechanism of Transition Mutation in DNA Containing O6-Methylguanine LesionMariia V Ivonina, Yuuichi Orimoto, Yuriko AokiThe Journal of Chemical Physics|April 3, 2021
Quantum chemistry-machine learning approach for predicting and elucidating molecular hyperpolarizability: Application to [2.2]paracyclophane-containing push-pull polymersMariia V Ivonina, Yuuichi Orimoto, Yuriko AokiPageof 549