Rchr
J-GLOBAL ID：201801002714990005
Update date: Feb. 01, 2024
Orimoto Yuuichi
オリモト ユウイチ | Orimoto Yuuichi
Affiliation and department：
Research field (2)：
Molecular biology
, Basic physical chemistry
Research keywords (2)：
Theoretical Chemistry
, Quantum Chemistry
Research theme for competitive and other funds (4)：
- 2021 - 2024 高精度分子機能設計のための軌道相互作用解析-機械学習連携手法の開発
- 2016 - 2020 Orbital interaction based binding energy analysis for designing molecular targeted drugs
- 2015 - 2019 Quantum chemistry method to analyze important orbital interactions in enzymatic reactions for controlling their reaction path
- 2013 - 2016 Efficient functional design of artificial DNA using order-N elongation method
Papers (51)：
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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
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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
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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
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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
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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
ｍore...
Books (1)：
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Quantum chemical approach for organic ferromagnetic material design
Springer 2017 ISBN:9783319498270
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