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Biological and Medicinal Chemistry

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Organic Chemistry

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Theoretical and Computational Chemistry

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Working Paper

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Daisuke Yokogawa

6 results in Authors: Daisuke Yokogawa

Organic Chemistry

σ-Bond Hydroboration of Cyclopropanes

Hiroki Kondo, Shin Miyamura, Chisa Kobayashi, Arifin, Stephan Irle, Kenichiro Itami, Daisuke Yokogawa, Junichiro Yamaguchi

Version 1 posted 08 January 2020

801

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Theoretical and Computational Chemistry

Lagrangian of extended multiconfigurational self-consistent field second-order quasidegenerate perturbation theory combined with reference interaction site model self-consistent field constraint spatial electron density

Naoki Negishi, Daisuke Yokogawa

Version 1 posted 05 January 2024

67

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Theoretical and Computational Chemistry

Description of solvatochromism of peak broadening in absorption spectra in solution using the reference interaction site model self-consistent fields spatial electron density distribution

Naoki Negishi, Daisuke Yokogawa

Version 1 posted 18 July 2023

80

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Biological and Medicinal Chemistry

Unimolecular Chemiexcited Oxygenation of Pathogenic Amyloids

Hiroki Umeda, Kayo Suda, Daisuke Yokogawa, Shigehiro A. Kawashima, Harunobu Mitsunuma, Yuki Yamanashi, Motomu Kanai

Version 1 posted 13 March 2024

90

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Theoretical and Computational Chemistry

Feature selection in molecular graph neural networks based on quantum chemical approaches

Daisuke Yokogawa, Kayo Suda

Version 3 posted 19 January 2023

366

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Theoretical and Computational Chemistry

Interpretable attribution assignment for octanol-water partition coefficient

Daisuke Yokogawa, Kayo Suda

Version 2 posted 19 April 2023

209

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