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The Journal of Physical Chemistry. B
|
March 24, 2023
Theoretical Understanding of the Nonlinear Raman Shift of C≡N Stretching Vibration of <i>p</i>-Aminobenzonitrile in Supercritical Water
Kayo Suda, Daisuke Yokogawa
The Journal of Physical Chemistry. B
|
November 15, 2023
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
The Journal of Physical Chemistry. B
|
February 17, 2017
Theoretical Study on Nonradiative Decay of Dimethylaminobenzonitrile through Triplet State in Gas-Phase, Nonpolar, and Polar Solutions
Kayo Suda, Daisuke Yokogawa
Journal of Chemical Theory and Computation
|
September 7, 2022
Spin-Orbit Coupling Calculation Combined with the Reference Interaction Site Model Self-Consistent Field Explicitly Including Constrained Spatial Electron Density Distribution
Kayo Suda, Daisuke Yokogawa
The Journal of Chemical Physics
|
March 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
The Journal of Physical Chemistry. A
|
November 10, 2020
Electrostatic Potential Fitting Method Using Constrained Spatial Electron Density Expanded with Preorthogonal Natural Atomic Orbitals
Daisuke Yokogawa, Kayo Suda
The Journal of Physical Chemistry. B
|
July 27, 2023
Interpretable Attribution Assignment for Octanol-Water Partition Coefficient
Daisuke Yokogawa, Kayo Suda
The Journal of Physical Chemistry. B
|
December 15, 2023
Theoretical Study of Raman Intensities of <i>p</i>-Nitroaniline in Different Solvent Conditions by Using a Reference Interaction Site Model Self-Consistent Field Explicitly Including Constrained Spatial Electron Density Distribution
Kayo Suda, Daisuke Yokogawa
The Journal of Chemical Physics
|
December 17, 2009
A robust approach to calculate entropy change based on density functional theory in the energy representation
Daisuke Yokogawa, Takahisa Ikegami
The Journal of Chemical Physics
|
December 2, 2021
Analytical second derivatives of the free energy in solution by the reference interaction site model self-consistent field explicitly including constrained spatial electron density distribution
Daisuke Yokogawa, Kayo Suda
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of 8
Search research articles
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Showing results (1-10 of 79) with videos related to
Sort By:
Page
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The Journal of Physical Chemistry. B
|
March 24, 2023
Theoretical Understanding of the Nonlinear Raman Shift of C≡N Stretching Vibration of <i>p</i>-Aminobenzonitrile in Supercritical Water
Kayo Suda, Daisuke Yokogawa
The Journal of Physical Chemistry. B
|
November 15, 2023
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
The Journal of Physical Chemistry. B
|
February 17, 2017
Theoretical Study on Nonradiative Decay of Dimethylaminobenzonitrile through Triplet State in Gas-Phase, Nonpolar, and Polar Solutions
Kayo Suda, Daisuke Yokogawa
Journal of Chemical Theory and Computation
|
September 7, 2022
Spin-Orbit Coupling Calculation Combined with the Reference Interaction Site Model Self-Consistent Field Explicitly Including Constrained Spatial Electron Density Distribution
Kayo Suda, Daisuke Yokogawa
The Journal of Chemical Physics
|
March 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
The Journal of Physical Chemistry. A
|
November 10, 2020
Electrostatic Potential Fitting Method Using Constrained Spatial Electron Density Expanded with Preorthogonal Natural Atomic Orbitals
Daisuke Yokogawa, Kayo Suda
The Journal of Physical Chemistry. B
|
July 27, 2023
Interpretable Attribution Assignment for Octanol-Water Partition Coefficient
Daisuke Yokogawa, Kayo Suda
The Journal of Physical Chemistry. B
|
December 15, 2023
Theoretical Study of Raman Intensities of <i>p</i>-Nitroaniline in Different Solvent Conditions by Using a Reference Interaction Site Model Self-Consistent Field Explicitly Including Constrained Spatial Electron Density Distribution
Kayo Suda, Daisuke Yokogawa
The Journal of Chemical Physics
|
December 17, 2009
A robust approach to calculate entropy change based on density functional theory in the energy representation
Daisuke Yokogawa, Takahisa Ikegami
The Journal of Chemical Physics
|
December 2, 2021
Analytical second derivatives of the free energy in solution by the reference interaction site model self-consistent field explicitly including constrained spatial electron density distribution
Daisuke Yokogawa, Kayo Suda
Page
of 8