Denis Mashkovtsev, Yuuichi Orimoto, Yuriko Aoki. Fast and Accurate Calculation of the UV-Vis Spectrum with the Modified Local Excitation Approximation. Journal of Chemical Theory and Computation. 2023. 19. 16. 5548-5562
Yuuichi Orimoto, Keisuke Hisama, Yuriko Aoki. Local electronic structure analysis by ab initio elongation method: A benchmark using DNA block polymers. Journal of Chemical Physics. 2022. 156. 20
Daiki Aso, Yuuichi Orimoto, Makoto Higashino, Ikuo Taniguchi, Yuriko Aoki. 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. 783
Xiao Huang, Yuuichi Orimoto, Yuriko Aoki. Theoretical Analysis of Properties of Ground and Excited States for Photodissociation of the C-O Bond in Polycarbonates. Journal of Physical Chemistry A. 2021. 125. 31. 6662-6673
Mariia V. Ivonina, Yuuichi Orimoto, Yuriko Aoki. Quantum chemistry-machine learning approach for predicting and elucidating molecular hyperpolarizability: Application to [2.2]paracyclophane-containing push-pull polymers. Journal of Chemical Physics. 2021. 154. 12