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Physical Chemistry Chemical Physics : PCCP
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September 23, 2022
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
Kayo Suda, Daisuke Yokogawa
The Journal of Chemical Physics
|
April 23, 2021
Analytical energy gradient for the second-order Møller-Plesset perturbation theory coupled with the reference interaction site model self-consistent field explicitly including spatial electron density distribution
Naoki Negishi, Daisuke Yokogawa
Journal of Chemical Theory and Computation
|
May 30, 2024
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
Kayo Suda, Daisuke Yokogawa
The Journal of Chemical Physics
|
March 19, 2024
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
The Journal of Chemical Physics
|
July 7, 2007
New generation of the reference interaction site model self-consistent field method: introduction of spatial electron density distribution to the solvation theory
Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki
The Journal of Physical Chemistry. A
|
January 8, 2021
Investigating the Nonradiative Decay Pathway in the Excited State of Silepin Derivatives: A Study with Second-Order Multireference Perturbation Wavefunction Theory
Naoto Inai, Daisuke Yokogawa, Takeshi Yanai
The Journal of Physical Chemistry Letters
|
July 15, 2024
Spin-Spin Coupling Constant Based on Reference Interaction Site Model Self-Consistent Field with Constrained Spatial Electron Density
Kosuke Imamura, Daisuke Yokogawa, Hirofumi Sato
The Journal of Physical Chemistry Letters
|
August 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
The Journal of Chemical Physics
|
February 11, 2024
Recent developments and applications of reference interaction site model self-consistent field with constrained spatial electron density (RISM-SCF-cSED): A hybrid model of quantum chemistry and integral equation theory of molecular liquids
Kosuke Imamura, Daisuke Yokogawa, Hirofumi Sato
The Journal of Chemical Physics
|
September 27, 2006
New evaluation of reconstructed spatial distribution function from radial distribution functions
Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki
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of 8
Search research articles
Search
Showing results (11-20 of 79) with videos related to
Sort By:
Page
of 8
Physical Chemistry Chemical Physics : PCCP
|
September 23, 2022
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
Kayo Suda, Daisuke Yokogawa
The Journal of Chemical Physics
|
April 23, 2021
Analytical energy gradient for the second-order Møller-Plesset perturbation theory coupled with the reference interaction site model self-consistent field explicitly including spatial electron density distribution
Naoki Negishi, Daisuke Yokogawa
Journal of Chemical Theory and Computation
|
May 30, 2024
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
Kayo Suda, Daisuke Yokogawa
The Journal of Chemical Physics
|
March 19, 2024
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
The Journal of Chemical Physics
|
July 7, 2007
New generation of the reference interaction site model self-consistent field method: introduction of spatial electron density distribution to the solvation theory
Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki
The Journal of Physical Chemistry. A
|
January 8, 2021
Investigating the Nonradiative Decay Pathway in the Excited State of Silepin Derivatives: A Study with Second-Order Multireference Perturbation Wavefunction Theory
Naoto Inai, Daisuke Yokogawa, Takeshi Yanai
The Journal of Physical Chemistry Letters
|
July 15, 2024
Spin-Spin Coupling Constant Based on Reference Interaction Site Model Self-Consistent Field with Constrained Spatial Electron Density
Kosuke Imamura, Daisuke Yokogawa, Hirofumi Sato
The Journal of Physical Chemistry Letters
|
August 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
The Journal of Chemical Physics
|
February 11, 2024
Recent developments and applications of reference interaction site model self-consistent field with constrained spatial electron density (RISM-SCF-cSED): A hybrid model of quantum chemistry and integral equation theory of molecular liquids
Kosuke Imamura, Daisuke Yokogawa, Hirofumi Sato
The Journal of Chemical Physics
|
September 27, 2006
New evaluation of reconstructed spatial distribution function from radial distribution functions
Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki
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of 8