Daisuke Yokogawa

39PUBLICATIONS
38CO-AUTHORS
Condensed matter modelling and density functional theoryChemical thermodynamics and energeticsTheoretical quantum chemistryElectrical circuits and systemsPolymers and plastics
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Publications (39)

|Aug 31, 2026
Self-Consistent Incorporation of Generalized Born Model into RCI-LC-DFTB for Photoinduced Charge-Separated States.

|Jul 15, 2026
Fermi-Resonance Raman Spectra of Acetonitrile in Water and Water-Acetonitrile Mixture Solutions Based on the Reference Interaction Site Model Self-Consistent Field Method Coupled with Constrained Spatial Electron Density Distribution and Vibrational Quasi-Degenerate Perturbation Theory.

|Jun 04, 2026
First-principles computation of electronic circular dichroism spectra of solvated molecules using RISM-SCF-cSED.

|Dec 13, 2025
A Restriction-Based Configuration Interaction Approach Based on LC-DFTB: An Efficient Method for Field-Induced Charge Transfer in Molecular Systems.

Ji Huang, Tim Kowalczyk, Yoshio Nishimoto

|Aug 15, 2025
Hyper-Raman Spectra in Solution Based on the Reference Interaction Site Model Self-Consistent Field Method Coupled with the Constrained Spatial Electron Density Distribution and Vibrational Quasi-Degenerate Perturbation Theory.

Kayo Suda, Kiyoshi Yagi, Daisuke Yokogawa

|Mar 10, 2025
Theory of frequency fluctuation of intramolecular vibration in solution phase: Application to C-N stretching mode of organic compounds.

Naoki Negishi, Daisuke Yokogawa

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Frequent Collaborators

7 joint publications

Kayo Suda

4 joint publications

Hirofumi Sato

3 joint publications

Stephan Irle

3 joint publications

Kosuke Imamura