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Journal of Chemical Theory and Computation
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December 29, 2017
Free Energy Profile of NaCl in Water: First-Principles Molecular Dynamics with SCAN and ωB97X-V Exchange-Correlation Functionals
Yi Yao, Yosuke Kanai
Journal of the American Chemical Society
|
November 28, 2012
Role of four-fold coordinated titanium and quantum confinement in CO2 reduction at titania surface
Donghwa Lee, Yosuke Kanai
The Journal of Physical Chemistry Letters
|
April 5, 2016
Excited Electron Dynamics at Semiconductor-Molecule Type-II Heterojunction Interface: First-Principles Dynamics Simulation
Lesheng Li, Yosuke Kanai
Physical Chemistry Chemical Physics : PCCP
|
February 17, 2022
Nonlinear electronic excitation in water under proton irradiation: a first principles study
Christopher Shepard, Yosuke Kanai
Physical Chemistry Chemical Physics : PCCP
|
June 25, 2025
Robustness of the Floquet topological phase at room temperature: a first-principles dynamics study
Ruiyi Zhou, Yosuke Kanai
Journal of the American Chemical Society
|
March 14, 2019
Electronic Excitation Dynamics in DNA under Proton and α-Particle Irradiation
Dillon C Yost, Yosuke Kanai
Nano Letters
|
February 23, 2008
Role of semiconducting and metallic tubes in P3HT/carbon-nanotube photovoltaic heterojunctions: density functional theory calculations
Yosuke Kanai, Jeffrey C Grossman
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 8, 2021
First Principles Dynamics Study of Excited Hole Relaxation in DNA
Jian Cheng Wong, Yosuke Kanai
Nano Letters
|
June 6, 2007
Insights on interfacial charge transfer across P3HT/fullerene photovoltaic heterojunction from Ab initio calculations
Yosuke Kanai, Jeffrey C Grossman
The Journal of Chemical Physics
|
July 17, 2014
Theoretical oxidation state analysis of Ru-(bpy)3: influence of water solvation and Hubbard correction in first-principles calculations
Kyle G Reeves, Yosuke Kanai
Page
of 7
Search research articles
Search
Showing results (11-20 of 64) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
December 29, 2017
Free Energy Profile of NaCl in Water: First-Principles Molecular Dynamics with SCAN and ωB97X-V Exchange-Correlation Functionals
Yi Yao, Yosuke Kanai
Journal of the American Chemical Society
|
November 28, 2012
Role of four-fold coordinated titanium and quantum confinement in CO2 reduction at titania surface
Donghwa Lee, Yosuke Kanai
The Journal of Physical Chemistry Letters
|
April 5, 2016
Excited Electron Dynamics at Semiconductor-Molecule Type-II Heterojunction Interface: First-Principles Dynamics Simulation
Lesheng Li, Yosuke Kanai
Physical Chemistry Chemical Physics : PCCP
|
February 17, 2022
Nonlinear electronic excitation in water under proton irradiation: a first principles study
Christopher Shepard, Yosuke Kanai
Physical Chemistry Chemical Physics : PCCP
|
June 25, 2025
Robustness of the Floquet topological phase at room temperature: a first-principles dynamics study
Ruiyi Zhou, Yosuke Kanai
Journal of the American Chemical Society
|
March 14, 2019
Electronic Excitation Dynamics in DNA under Proton and α-Particle Irradiation
Dillon C Yost, Yosuke Kanai
Nano Letters
|
February 23, 2008
Role of semiconducting and metallic tubes in P3HT/carbon-nanotube photovoltaic heterojunctions: density functional theory calculations
Yosuke Kanai, Jeffrey C Grossman
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 8, 2021
First Principles Dynamics Study of Excited Hole Relaxation in DNA
Jian Cheng Wong, Yosuke Kanai
Nano Letters
|
June 6, 2007
Insights on interfacial charge transfer across P3HT/fullerene photovoltaic heterojunction from Ab initio calculations
Yosuke Kanai, Jeffrey C Grossman
The Journal of Chemical Physics
|
July 17, 2014
Theoretical oxidation state analysis of Ru-(bpy)3: influence of water solvation and Hubbard correction in first-principles calculations
Kyle G Reeves, Yosuke Kanai
Page
of 7