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Kazuo Toyota

Showing results (1-10 of 34) with videos related to

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Journal of Chemical Information and Modeling|May 23, 2006
A quantum and deductive chemical study for all congeners of polybromo/chlorodibenzo-p-dioxin and polybromo/chlorodibenzofuranMamoru Sakai, Kazuo Toyota, Takeji Takui
Communications Chemistry|January 25, 2023
Adiabatic state preparation of correlated wave functions with nonlinear scheduling functions and broken-symmetry wave functionsKenji Sugisaki, Kazuo Toyota, Kazunobu Sato, et al.
Physical Chemistry Chemical Physics : PCCP|September 17, 2020
A probabilistic spin annihilation method for quantum chemical calculations on quantum computersKenji Sugisaki, Kazuo Toyota, Kazunobu Sato, et al.
Chemical Science|June 24, 2021
A quantum algorithm for spin chemistry: a Bayesian exchange coupling parameter calculator with broken-symmetry wave functionsKenji Sugisaki, Kazuo Toyota, Kazunobu Sato, et al.
Physical Chemistry Chemical Physics : PCCP|November 4, 2017
Behaviour of DFT-based approaches to the spin-orbit term of zero-field splitting tensors: a case study of metallocomplexes, M<sup>III</sup>(acac)<sub>3</sub> (M = V, Cr, Mn, Fe and Mo)Kenji Sugisaki, Kazuo Toyota, Kazunobu Sato, et al.
The Journal of Physical Chemistry. A|December 16, 2016
Quasi-Restricted Orbital Treatment for the Density Functional Theory Calculations of the Spin-Orbit Term of Zero-Field Splitting TensorsKenji Sugisaki, Kazuo Toyota, Kazunobu Sato, et al.
Angewandte Chemie (International Ed. in English)|March 7, 2006
Ab initio MO analysis of the excited electronic states of high-spin quintet 2-methylphenylene-1,3-dinitreneKenji Sugisaki, Kazuo Toyota, Kazunobu Sato, et al.
The Journal of Physical Chemistry Letters|March 16, 2021
Quantum Algorithm for the Direct Calculations of Vertical Ionization EnergiesKenji Sugisaki, Kazuo Toyota, Kazunobu Sato, et al.
The Journal of Chemical Physics|July 23, 2004
Analytical energy gradient of the symmetry-adapted-cluster configuration-interaction general-R method for singlet to septet ground and excited statesMayumi Ishida, Kazuo Toyota, Masahiro Ehara, et al.
ACS Central Science|January 30, 2019
Quantum Chemistry on Quantum Computers: A Method for Preparation of Multiconfigurational Wave Functions on Quantum Computers without Performing Post-Hartree-Fock CalculationsKenji Sugisaki, Shigeaki Nakazawa, Kazuo Toyota, et al.
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Showing results (1-10 of 34) with videos related to

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Journal of Chemical Information and Modeling|May 23, 2006
A quantum and deductive chemical study for all congeners of polybromo/chlorodibenzo-p-dioxin and polybromo/chlorodibenzofuranMamoru Sakai, Kazuo Toyota, Takeji Takui
Communications Chemistry|January 25, 2023
Adiabatic state preparation of correlated wave functions with nonlinear scheduling functions and broken-symmetry wave functionsKenji Sugisaki, Kazuo Toyota, Kazunobu Sato, et al.
Physical Chemistry Chemical Physics : PCCP|September 17, 2020
A probabilistic spin annihilation method for quantum chemical calculations on quantum computersKenji Sugisaki, Kazuo Toyota, Kazunobu Sato, et al.
Chemical Science|June 24, 2021
A quantum algorithm for spin chemistry: a Bayesian exchange coupling parameter calculator with broken-symmetry wave functionsKenji Sugisaki, Kazuo Toyota, Kazunobu Sato, et al.
Physical Chemistry Chemical Physics : PCCP|November 4, 2017
Behaviour of DFT-based approaches to the spin-orbit term of zero-field splitting tensors: a case study of metallocomplexes, M<sup>III</sup>(acac)<sub>3</sub> (M = V, Cr, Mn, Fe and Mo)Kenji Sugisaki, Kazuo Toyota, Kazunobu Sato, et al.
The Journal of Physical Chemistry. A|December 16, 2016
Quasi-Restricted Orbital Treatment for the Density Functional Theory Calculations of the Spin-Orbit Term of Zero-Field Splitting TensorsKenji Sugisaki, Kazuo Toyota, Kazunobu Sato, et al.
Angewandte Chemie (International Ed. in English)|March 7, 2006
Ab initio MO analysis of the excited electronic states of high-spin quintet 2-methylphenylene-1,3-dinitreneKenji Sugisaki, Kazuo Toyota, Kazunobu Sato, et al.
The Journal of Physical Chemistry Letters|March 16, 2021
Quantum Algorithm for the Direct Calculations of Vertical Ionization EnergiesKenji Sugisaki, Kazuo Toyota, Kazunobu Sato, et al.
The Journal of Chemical Physics|July 23, 2004
Analytical energy gradient of the symmetry-adapted-cluster configuration-interaction general-R method for singlet to septet ground and excited statesMayumi Ishida, Kazuo Toyota, Masahiro Ehara, et al.
ACS Central Science|January 30, 2019
Quantum Chemistry on Quantum Computers: A Method for Preparation of Multiconfigurational Wave Functions on Quantum Computers without Performing Post-Hartree-Fock CalculationsKenji Sugisaki, Shigeaki Nakazawa, Kazuo Toyota, et al.
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