Daisuke Yokogawa (D Yokogawa)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 36

Top Topics

Molecular Dynamics Simulations

Electron Transfer

Polycyclic Aromatic Hydrocarbons

Transition Metal

Top Venues

The journal of physical chemistry. B

Journal of chemical theory and computation

The journal of physical chemistry letters

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Kayo Suda, Daisuke Yokogawa
Vibrational Self-Consistent Field (VSCF) and Post-VSCF Method Calculations Combined with the Reference Interaction Site Model Self-Consistent Field Method Coupled with the Constrained Spatial Electron Density Distribution: Applications to NaHCOO in Aqueous Phase. Journal of chemical theory and computation (2024)
Kosuke Imamura, Daisuke Yokogawa, Hirofumi Sato
Spin-Spin Coupling Constant Based on Reference Interaction Site Model Self-Consistent Field with Constrained Spatial Electron Density. The journal of physical chemistry letters 15 (29) (2024)
Kayo Suda, Daisuke Yokogawa
Vibrational Self-Consistent Field (VSCF) and Post-VSCF Method Calculations Combined with the Reference Interaction Site Model Self-Consistent Field Method Coupled with the Constrained Spatial Electron Density Distribution: Applications to NaHCOO in Aqueous Phase. Journal of chemical theory and computation 20 (11) (2024)
Motoo Ohtsuka, Koushik Ghosh, Jacky C-H Yim, Hikaru Sotome, Tsubasa Okamoto, Kayo Suda, Yasuhiro Kobori, Daisuke Yokogawa, Hiroshi Miyasaka, Cathleen M Crudden, Masakazu Nambo
Visible-light-induced direct C-H alkylation of polycyclic aromatic hydrocarbons with alkylsulfones. Chemical science 15 (27) (2024)
Kosuke Imamura, Daisuke Yokogawa, Hirofumi Sato
Spin-Spin Coupling Constant Based on Reference Interaction Site Model Self-Consistent Field with Constrained Spatial Electron Density. The journal of physical chemistry letters (2024)
Motoo Ohtsuka, Koushik Ghosh, Jacky C-H Yim, Hikaru Sotome, Tsubasa Okamoto, Kayo Suda, Yasuhiro Kobori, Daisuke Yokogawa, Hiroshi Miyasaka, Cathleen M Crudden, Masakazu Nambo
Visible-light-induced direct C-H alkylation of polycyclic aromatic hydrocarbons with alkylsulfones. Chemical science 15 (27) (2024)
Kosuke Imamura, Daisuke Yokogawa, Hirofumi Sato
Spin-Spin Coupling Constant Based on Reference Interaction Site Model Self-Consistent Field with Constrained Spatial Electron Density. The journal of physical chemistry letters 15 (29) (2024)
Kosuke Imamura, Daisuke Yokogawa, Hirofumi Sato
Spin-Spin Coupling Constant Based on Reference Interaction Site Model Self-Consistent Field with Constrained Spatial Electron Density. The journal of physical chemistry letters 15 (29) (2024)
Kosuke Imamura, Daisuke Yokogawa, Hirofumi Sato
Spin-Spin Coupling Constant Based on Reference Interaction Site Model Self-Consistent Field with Constrained Spatial Electron Density. The journal of physical chemistry letters 15 (29) (2024)
Kayo Suda, Daisuke Yokogawa
Theoretical Study of Raman Intensities of p -Nitroaniline in Different Solvent Conditions by Using a Reference Interaction Site Model Self-Consistent Field Explicitly Including Constrained Spatial Electron Density Distribution. The journal of physical chemistry. B (2023)
Naoki Negishi, Daisuke Yokogawa
Description of Solvatochromism of Peak Broadening in Absorption Spectra in Solution Using the Reference Interaction Site Model Self-Consistent Fields Spatial Electron Density Distribution. The journal of physical chemistry. B (2023)
Kayo Suda, Daisuke Yokogawa
Theoretical Understanding of the Nonlinear Raman Shift of C≡N Stretching Vibration of p -Aminobenzonitrile in Supercritical Water. The journal of physical chemistry. B (2023)
Daisuke Yokogawa, Kayo Suda
Interpretable Attribution Assignment for Octanol-Water Partition Coefficient. The journal of physical chemistry. B (2023)
Kayo Suda, Daisuke Yokogawa
Theoretical Study of Raman Intensities of p -Nitroaniline in Different Solvent Conditions by Using a Reference Interaction Site Model Self-Consistent Field Explicitly Including Constrained Spatial Electron Density Distribution. The journal of physical chemistry. B 127 (51) (2023)
Kayo Suda, Daisuke Yokogawa
Investigation of the metastable structures of polyiodide in acetonitrile studied using global reaction route mapping and the reference interaction site model self-consistent field explicitly including constrained spatial electron density distribution. Physical chemistry chemical physics : PCCP 24 (38) (2022)
Kosuke Imamura, Daisuke Yokogawa, Masahiro Higashi, Hirofumi Sato
Reference interaction site model self-consistent field with constrained spatial electron density approach for nuclear magnetic shielding in solution. The Journal of chemical physics 157 (20) (2022)
Zhewei Weng, Naoki Ogiwara, Daisuke Yokogawa, Takashi Kitao, Yuji Kikukawa, Sayaka Uchida
Basicity of isostructural porous ionic crystals composed of Nb/Ta-substituted Keggin-type polyoxotungstates. Dalton transactions (Cambridge, England : 2003) 51 (21) (2022)
Kayo Suda, Daisuke Yokogawa
Spin-Orbit Coupling Calculation Combined with the Reference Interaction Site Model Self-Consistent Field Explicitly Including Constrained Spatial Electron Density Distribution. Journal of chemical theory and computation 18 (10) (2022)
Masakazu Nambo, Yasuyo Tahara, Jacky C-H Yim, Daisuke Yokogawa, Cathleen M Crudden
Synthesis of quaternary centres by single electron reduction and alkylation of alkylsulfones. Chemical science 12 (13) (2021)
Kentaro Yonesato, Seiji Yamazoe, Daisuke Yokogawa, Kazuya Yamaguchi, Kosuke Suzuki
A Molecular Hybrid of an Atomically Precise Silver Nanocluster and Polyoxometalates for H2 Cleavage into Protons and Electrons. Angewandte Chemie (International ed. in English) 60 (31) (2021)
Daisuke Uraguchi, Yuto Tsuchiya, Tsuyoshi Ohtani, Takafumi Enomoto, Shigeyuki Masaoka, Daisuke Yokogawa, Takashi Ooi
Unveiling Latent Photoreactivity of Imines. Angewandte Chemie (International ed. in English) 59 (9) (2020)
Hiroki Kondo, Shin Miyamura, Kaoru Matsushita, Hiroki Kato, Chisa Kobayashi, null Arifin, Kenichiro Itami, Daisuke Yokogawa, Junichiro Yamaguchi
σ-Bond Hydroboration of Cyclopropanes. Journal of the American Chemical Society 142 (25) (2020)
Ryosuke Y Shimizu, Takeshi Yanai, Daisuke Yokogawa
Improved RISM-CASSCF Optimization via State-Average Treatment and Damping for Characterizing Excited Molecules in Solution with Multireference Perturbation Theory. Journal of chemical theory and computation 16 (8) (2020)
Daisuke Yokogawa, Kayo Suda
Electrostatic Potential Fitting Method Using Constrained Spatial Electron Density Expanded with Preorthogonal Natural Atomic Orbitals. The journal of physical chemistry. A 124 (46) (2020)
Yuuki Maekawa, Masakazu Nambo, Daisuke Yokogawa, Cathleen M Crudden
Alkyltriflones in the Ramberg-Bäcklund Reaction: An Efficient and Modular Synthesis of gem-Difluoroalkenes. Journal of the American Chemical Society 142 (37) (2020)
Kentaro Yonesato, Hiroyasu Ito, Hiroyuki Itakura, Daisuke Yokogawa, Takashi Kikuchi, Noritaka Mizuno, Kazuya Yamaguchi, Kosuke Suzuki
Controlled Assembly Synthesis of Atomically Precise Ultrastable Silver Nanoclusters with Polyoxometalates. Journal of the American Chemical Society 141 (50) (2019)
Kayo Suda, Asri Sarinastiti, null Arifin, Yoshifumi Kimura, Daisuke Yokogawa
Understanding Structural Changes through Excited-State Intramolecular Proton Transfer in 4'-N,N-Diethylamino-3-hydroxyflavone (DEAHF) in Solution Based on Quantum Chemical Calculations. The journal of physical chemistry. B 123 (46) (2019)
Chenguang Wang, Aiko Fukazawa, Yoshiyuki Tanabe, Naoto Inai, Daisuke Yokogawa, Shigehiro Yamaguchi
Water-Soluble Phospholo[3,2-b]phosphole-P,P'-Dioxide-Based Fluorescent Dyes with High Photostability. Chemistry, an Asian journal 13 (12) (2018)
Daisuke Yokogawa
Toward Accurate Solvation Free Energy Calculation with the Reference Interaction Site Model Self-Consistent Field: Introduction of a New Bridge Function. Journal of chemical theory and computation 14 (6) (2018)
Daisuke Yokogawa
Coupled Cluster Theory Combined with Reference Interaction Site Model Self-Consistent Field Explicitly Including Spatial Electron Density Distribution. Journal of chemical theory and computation 14 (5) (2018)
Ryosuke Y Shimizu, Takeshi Yanai, Yuki Kurashige, Daisuke Yokogawa
Electronically Excited Solute Described by RISM Approach Coupled with Multireference Perturbation Theory: Vertical Excitation Energies of Bioimaging Probes. Journal of chemical theory and computation 14 (11) (2018)
Naoya Suzuki, Kayo Suda, Daisuke Yokogawa, Hirotaka Kitoh-Nishioka, Stephan Irle, Akihiro Ando, Luis M G Abegão, Kenji Kamada, Aiko Fukazawa, Shigehiro Yamaguchi
Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold. Chemical science 9 (10) (2018)
Kayo Suda, Daisuke Yokogawa
Correction to "Theoretical Study on Nonradiative Decay of Dimethylaminobenzonitrile through Triplet State in Gas-Phase, Nonpolar, and Polar Solutions". The journal of physical chemistry. B 121 (12) (2017)
Kayo Suda, Daisuke Yokogawa
Theoretical Study on Nonradiative Decay of Dimethylaminobenzonitrile through Triplet State in Gas-Phase, Nonpolar, and Polar Solutions. The journal of physical chemistry. B 121 (9) (2017)
null Arifin, Daisuke Yokogawa, Udo Schnupf, Stephan Irle
Statistical Mechanics-Based Theoretical Investigation of Solvation Effects on Glucose Anomer Preferences. The journal of physical chemistry. B 122 (1) (2017)
Yoshio Nishimoto, Hiroki Kondo, Kazuya Yamaguchi, Daisuke Yokogawa, Junichiro Yamaguchi, Kenichiro Itami, Stephan Irle
Theoretical Elucidation of Potential Enantioselectivity in a Pd-Catalyzed Aromatic C-H Coupling Reaction. The Journal of organic chemistry 82 (9) (2017)