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The Journal of Chemical Physics
|
February 9, 2021
Dynamical transition orbitals: A particle-hole description in real-time TDDFT dynamics
Ruiyi Zhou, Yosuke Kanai
The Journal of Chemical Physics
|
December 9, 2009
Toward accurate reaction energetics for molecular line growth at surface: Quantum Monte Carlo and density functional theory calculations
Yosuke Kanai, Noboru Takeuchi
The Journal of Physical Chemistry Letters
|
July 7, 2021
Nuclear Quantum Effect and Its Temperature Dependence in Liquid Water from Random Phase Approximation via Artificial Neural Network
Yi Yao, Yosuke Kanai
The Journal of Physical Chemistry Letters
|
August 20, 2015
Biomimetic Carbon Nanotube for Catalytic CO2 Hydrolysis: First-Principles Investigation on the Role of Oxidation State and Metal Substitution in Porphyrin
Donghwa Lee, Yosuke Kanai
The Journal of Physical Chemistry Letters
|
September 6, 2023
Molecular Control of Floquet Topological Phase in Non-adiabatic Thouless Pumping
Ruiyi Zhou, Yosuke Kanai
Journal of the American Chemical Society
|
March 23, 2006
Competing mechanisms in the optically activated functionalization of the hydrogen-terminated Si(111) surface
Yosuke Kanai, Annabella Selloni
The Journal of Chemical Physics
|
November 23, 2017
Plane-wave pseudopotential implementation and performance of SCAN meta-GGA exchange-correlation functional for extended systems
Yi Yao, Yosuke Kanai
The Journal of Chemical Physics
|
August 6, 2020
Temperature dependence of nuclear quantum effects on liquid water via artificial neural network model based on SCAN meta-GGA functional
Yi Yao, Yosuke Kanai
The Journal of Physical Chemistry. B
|
November 9, 2023
Ion-Type Dependence of DNA Electronic Excitation in Water under Proton, α-Particle, and Carbon Ion Irradiation: A First-Principles Simulation Study
Christopher Shepard, Yosuke Kanai
Physical Chemistry Chemical Physics : PCCP
|
May 1, 2018
Dependence of hot electron transfer on surface coverage and adsorbate species at semiconductor-molecule interfaces
Lesheng Li, Yosuke Kanai
Page
of 7
Search research articles
Search
Showing results (1-10 of 64) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
February 9, 2021
Dynamical transition orbitals: A particle-hole description in real-time TDDFT dynamics
Ruiyi Zhou, Yosuke Kanai
The Journal of Chemical Physics
|
December 9, 2009
Toward accurate reaction energetics for molecular line growth at surface: Quantum Monte Carlo and density functional theory calculations
Yosuke Kanai, Noboru Takeuchi
The Journal of Physical Chemistry Letters
|
July 7, 2021
Nuclear Quantum Effect and Its Temperature Dependence in Liquid Water from Random Phase Approximation via Artificial Neural Network
Yi Yao, Yosuke Kanai
The Journal of Physical Chemistry Letters
|
August 20, 2015
Biomimetic Carbon Nanotube for Catalytic CO2 Hydrolysis: First-Principles Investigation on the Role of Oxidation State and Metal Substitution in Porphyrin
Donghwa Lee, Yosuke Kanai
The Journal of Physical Chemistry Letters
|
September 6, 2023
Molecular Control of Floquet Topological Phase in Non-adiabatic Thouless Pumping
Ruiyi Zhou, Yosuke Kanai
Journal of the American Chemical Society
|
March 23, 2006
Competing mechanisms in the optically activated functionalization of the hydrogen-terminated Si(111) surface
Yosuke Kanai, Annabella Selloni
The Journal of Chemical Physics
|
November 23, 2017
Plane-wave pseudopotential implementation and performance of SCAN meta-GGA exchange-correlation functional for extended systems
Yi Yao, Yosuke Kanai
The Journal of Chemical Physics
|
August 6, 2020
Temperature dependence of nuclear quantum effects on liquid water via artificial neural network model based on SCAN meta-GGA functional
Yi Yao, Yosuke Kanai
The Journal of Physical Chemistry. B
|
November 9, 2023
Ion-Type Dependence of DNA Electronic Excitation in Water under Proton, α-Particle, and Carbon Ion Irradiation: A First-Principles Simulation Study
Christopher Shepard, Yosuke Kanai
Physical Chemistry Chemical Physics : PCCP
|
May 1, 2018
Dependence of hot electron transfer on surface coverage and adsorbate species at semiconductor-molecule interfaces
Lesheng Li, Yosuke Kanai
Page
of 7