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Yukio Kawashima

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The Journal of Physical Chemistry. A|February 16, 2017
Singularity Correction for Long-Range-Corrected Density Functional Theory with Plane-Wave Basis SetsYukio Kawashima, Kimihiko Hirao
Journal of Chemical Theory and Computation|November 19, 2015
Ab Initio Path Integral Molecular Dynamics Study of the Nuclear Quantum Effect on Out-of-Plane Ring Deformation of Hydrogen Maleate AnionYukio Kawashima, Masanori Tachikawa
Journal of Computational Chemistry|July 19, 2017
Correlation functional in screened-exchange density functional theory proceduresBun Chan, Yukio Kawashima, Kimihiko Hirao
Journal of Chemical Theory and Computation|November 19, 2015
Accurate Prediction of Hyperfine Coupling Constants in Muoniated and Hydrogenated Ethyl Radicals: Ab Initio Path Integral Simulation Study with Density Functional Theory MethodKenta Yamada, Yukio Kawashima, Masanori Tachikawa
The Journal of Physical Chemistry. A|November 6, 2010
Low-lying excited states of C120 and C151: a multireference perturbation theory studyTetsuya Sakata, Yukio Kawashima, Haruyuki Nakano
The Journal of Physical Chemistry. A|June 4, 2013
Ab initio path integral simulations for the fluoride ion-water clusters: competitive nuclear quantum effect between F(-)-water and water-water hydrogen bondsYukio Kawashima, Kimichi Suzuki, Masanori Tachikawa
The Journal of Chemical Physics|January 12, 2011
Solvent effect on the absorption spectra of coumarin 120 in water: A combined quantum mechanical and molecular mechanical studyTetsuya Sakata, Yukio Kawashima, Haruyuki Nakano
Journal of Computational Chemistry|August 6, 2013
Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of base pairsMasashi Daido, Yukio Kawashima, Masanori Tachikawa
Journal of Computational Chemistry|September 19, 2018
The reHISS Three-Range Exchange Functional with an Optimal Variation of Hartree-Fock and Its Use in the reHISSB-D Density Functional Theory MethodBun Chan, Yukio Kawashima, Kimihiko Hirao
Journal of Chemical Theory and Computation|November 26, 2015
Parallel Implementation of the Four-Component Relativistic Quasidegenerate Perturbation Theory with General Multiconfigurational Reference FunctionsRyo Ebisuzaki, Yoshihiro Watanabe, Yukio Kawashima, et al.
Pageof 4

Showing results (1-10 of 40) with videos related to

Sort By:
Pageof 4
The Journal of Physical Chemistry. A|February 16, 2017
Singularity Correction for Long-Range-Corrected Density Functional Theory with Plane-Wave Basis SetsYukio Kawashima, Kimihiko Hirao
Journal of Chemical Theory and Computation|November 19, 2015
Ab Initio Path Integral Molecular Dynamics Study of the Nuclear Quantum Effect on Out-of-Plane Ring Deformation of Hydrogen Maleate AnionYukio Kawashima, Masanori Tachikawa
Journal of Computational Chemistry|July 19, 2017
Correlation functional in screened-exchange density functional theory proceduresBun Chan, Yukio Kawashima, Kimihiko Hirao
Journal of Chemical Theory and Computation|November 19, 2015
Accurate Prediction of Hyperfine Coupling Constants in Muoniated and Hydrogenated Ethyl Radicals: Ab Initio Path Integral Simulation Study with Density Functional Theory MethodKenta Yamada, Yukio Kawashima, Masanori Tachikawa
The Journal of Physical Chemistry. A|November 6, 2010
Low-lying excited states of C120 and C151: a multireference perturbation theory studyTetsuya Sakata, Yukio Kawashima, Haruyuki Nakano
The Journal of Physical Chemistry. A|June 4, 2013
Ab initio path integral simulations for the fluoride ion-water clusters: competitive nuclear quantum effect between F(-)-water and water-water hydrogen bondsYukio Kawashima, Kimichi Suzuki, Masanori Tachikawa
The Journal of Chemical Physics|January 12, 2011
Solvent effect on the absorption spectra of coumarin 120 in water: A combined quantum mechanical and molecular mechanical studyTetsuya Sakata, Yukio Kawashima, Haruyuki Nakano
Journal of Computational Chemistry|August 6, 2013
Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of base pairsMasashi Daido, Yukio Kawashima, Masanori Tachikawa
Journal of Computational Chemistry|September 19, 2018
The reHISS Three-Range Exchange Functional with an Optimal Variation of Hartree-Fock and Its Use in the reHISSB-D Density Functional Theory MethodBun Chan, Yukio Kawashima, Kimihiko Hirao
Journal of Chemical Theory and Computation|November 26, 2015
Parallel Implementation of the Four-Component Relativistic Quasidegenerate Perturbation Theory with General Multiconfigurational Reference FunctionsRyo Ebisuzaki, Yoshihiro Watanabe, Yukio Kawashima, et al.
Pageof 4