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Ayako Nakata

Showing results (1-10 of 25) with videos related to

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The Journal of Chemical Physics|August 17, 2013
Density functional theory for comprehensive orbital energy calculationsAyako Nakata, Takao Tsuneda
The Journal of Chemical Physics|September 1, 2006
Hybrid exchange-correlation functional for core, valence, and Rydberg excitations: core-valence-Rydberg B3LYPAyako Nakata, Yutaka Imamura, Hiromi Nakai
Journal of Computational Chemistry|April 18, 2009
Modified regional self-interaction corrected time-dependent density functional theory for core excited-state calculationsAyako Nakata, Takao Tsuneda, Kimihiko Hirao
The Journal of Physical Chemistry. A|January 27, 2010
Modified regional self-interaction correction method based on the pseudospectral methodAyako Nakata, Takao Tsuneda, Kimihiko Hirao
The Journal of Chemical Physics|December 16, 2011
Spin-orbit relativistic long-range corrected time-dependent density functional theory for investigating spin-forbidden transitions in photochemical reactionsAyako Nakata, Takao Tsuneda, Kimihiko Hirao
Physical Chemistry Chemical Physics : PCCP|June 26, 2024
Theoretical search for characteristic atoms in supported gold nanoparticles: a large-scale DFT studyShengzhou Li, Tsuyoshi Miyazaki, Ayako Nakata
Journal of Chemical Theory and Computation|December 4, 2015
Extension of the Core-Valence-Rydberg B3LYP Functional to Core-Excited-State Calculations of Third-Row AtomsAyako Nakata, Yutaka Imamura, Hiromi Nakai
Journal of Computational Chemistry|March 25, 2016
Relationship between orbital energy gaps and excitation energies for long-chain systemsTakao Tsuneda, Raman K Singh, Ayako Nakata
Journal of Computational Chemistry|June 6, 2017
On low-lying excited states of extended nanographenesTakao Tsuneda, Raman K Singh, Ayako Nakata
Physical Chemistry Chemical Physics : PCCP|April 10, 2015
Optimized multi-site local orbitals in the large-scale DFT program CONQUESTAyako Nakata, David R Bowler, Tsuyoshi Miyazaki
Pageof 3

Showing results (1-10 of 25) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|August 17, 2013
Density functional theory for comprehensive orbital energy calculationsAyako Nakata, Takao Tsuneda
The Journal of Chemical Physics|September 1, 2006
Hybrid exchange-correlation functional for core, valence, and Rydberg excitations: core-valence-Rydberg B3LYPAyako Nakata, Yutaka Imamura, Hiromi Nakai
Journal of Computational Chemistry|April 18, 2009
Modified regional self-interaction corrected time-dependent density functional theory for core excited-state calculationsAyako Nakata, Takao Tsuneda, Kimihiko Hirao
The Journal of Physical Chemistry. A|January 27, 2010
Modified regional self-interaction correction method based on the pseudospectral methodAyako Nakata, Takao Tsuneda, Kimihiko Hirao
The Journal of Chemical Physics|December 16, 2011
Spin-orbit relativistic long-range corrected time-dependent density functional theory for investigating spin-forbidden transitions in photochemical reactionsAyako Nakata, Takao Tsuneda, Kimihiko Hirao
Physical Chemistry Chemical Physics : PCCP|June 26, 2024
Theoretical search for characteristic atoms in supported gold nanoparticles: a large-scale DFT studyShengzhou Li, Tsuyoshi Miyazaki, Ayako Nakata
Journal of Chemical Theory and Computation|December 4, 2015
Extension of the Core-Valence-Rydberg B3LYP Functional to Core-Excited-State Calculations of Third-Row AtomsAyako Nakata, Yutaka Imamura, Hiromi Nakai
Journal of Computational Chemistry|March 25, 2016
Relationship between orbital energy gaps and excitation energies for long-chain systemsTakao Tsuneda, Raman K Singh, Ayako Nakata
Journal of Computational Chemistry|June 6, 2017
On low-lying excited states of extended nanographenesTakao Tsuneda, Raman K Singh, Ayako Nakata
Physical Chemistry Chemical Physics : PCCP|April 10, 2015
Optimized multi-site local orbitals in the large-scale DFT program CONQUESTAyako Nakata, David R Bowler, Tsuyoshi Miyazaki
Pageof 3