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The Journal of Physical Chemistry Letters
|
May 6, 2021
First-Principles Demonstration of Nonadiabatic Thouless Pumping of Electrons in a Molecular System
Ruiyi Zhou, Dillon C Yost, Yosuke Kanai
Journal of Chemical Theory and Computation
|
April 18, 2017
Examining the Effect of Exchange-Correlation Approximations in First-Principles Dynamics Simulation of Interfacial Charge Transfer
Lesheng Li, Jian Cheng Wong, Yosuke Kanai
The Journal of Chemical Physics
|
January 3, 2016
Communication: Modeling of concentration dependent water diffusivity in ionic solutions: Role of intermolecular charge transfer
Yi Yao, Max L Berkowitz, Yosuke Kanai
Physical Review Letters
|
September 7, 2019
K-Shell Core-Electron Excitations in Electronic Stopping of Protons in Water from First Principles
Yi Yao, Dillon C Yost, Yosuke Kanai
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
October 25, 2024
Hot carrier transfer from plasmon decay in Ag<sub>20</sub>at H-Si(111) surface: real-time TDDFT simulation in Wannier gauge
John L Bost, Christopher Shepard, Yosuke Kanai
The Journal of Physical Chemistry Letters
|
January 26, 2026
Proton Quantum Effects on Electronic Excitation in Hydrogen-Bonded Organic Solid: A First-Principles Green's Function Theory Study
Sampreeti Bhattacharya, Jianhang Xu, Ruiyi Zhou, et al.
The Journal of Physical Chemistry. B
|
July 21, 2006
Role of molecular conjugation in the surface radical reaction of aldehydes with H-Si(111): first principles study
Yosuke Kanai, Noboru Takeuchi, Roberto Car, et al.
The Journal of Physical Chemistry. A
|
July 16, 2024
BSE@<i>GW</i> Prediction of Charge Transfer Exciton in Molecular Complexes: Assessment of Self-Energy and Exchange-Correlation Dependence
Sampreeti Bhattacharya, Jiachen Li, Weitao Yang, et al.
The Journal of Chemical Physics
|
December 28, 2006
Testing the TPSS meta-generalized-gradient-approximation exchange-correlation functional in calculations of transition states and reaction barriers
Yosuke Kanai, Xiaofei Wang, Annabella Selloni, et al.
The Journal of Physical Chemistry. B
|
July 21, 2006
A theoretical study of biotin chemisorption on Si-SiC(001) surfaces
Yosuke Kanai, Giancarlo Cicero, Annabella Selloni, et al.
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Search research articles
Search
Showing results (31-40 of 64) with videos related to
Sort By:
Page
of 7
The Journal of Physical Chemistry Letters
|
May 6, 2021
First-Principles Demonstration of Nonadiabatic Thouless Pumping of Electrons in a Molecular System
Ruiyi Zhou, Dillon C Yost, Yosuke Kanai
Journal of Chemical Theory and Computation
|
April 18, 2017
Examining the Effect of Exchange-Correlation Approximations in First-Principles Dynamics Simulation of Interfacial Charge Transfer
Lesheng Li, Jian Cheng Wong, Yosuke Kanai
The Journal of Chemical Physics
|
January 3, 2016
Communication: Modeling of concentration dependent water diffusivity in ionic solutions: Role of intermolecular charge transfer
Yi Yao, Max L Berkowitz, Yosuke Kanai
Physical Review Letters
|
September 7, 2019
K-Shell Core-Electron Excitations in Electronic Stopping of Protons in Water from First Principles
Yi Yao, Dillon C Yost, Yosuke Kanai
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
October 25, 2024
Hot carrier transfer from plasmon decay in Ag<sub>20</sub>at H-Si(111) surface: real-time TDDFT simulation in Wannier gauge
John L Bost, Christopher Shepard, Yosuke Kanai
The Journal of Physical Chemistry Letters
|
January 26, 2026
Proton Quantum Effects on Electronic Excitation in Hydrogen-Bonded Organic Solid: A First-Principles Green's Function Theory Study
Sampreeti Bhattacharya, Jianhang Xu, Ruiyi Zhou, et al.
The Journal of Physical Chemistry. B
|
July 21, 2006
Role of molecular conjugation in the surface radical reaction of aldehydes with H-Si(111): first principles study
Yosuke Kanai, Noboru Takeuchi, Roberto Car, et al.
The Journal of Physical Chemistry. A
|
July 16, 2024
BSE@<i>GW</i> Prediction of Charge Transfer Exciton in Molecular Complexes: Assessment of Self-Energy and Exchange-Correlation Dependence
Sampreeti Bhattacharya, Jiachen Li, Weitao Yang, et al.
The Journal of Chemical Physics
|
December 28, 2006
Testing the TPSS meta-generalized-gradient-approximation exchange-correlation functional in calculations of transition states and reaction barriers
Yosuke Kanai, Xiaofei Wang, Annabella Selloni, et al.
The Journal of Physical Chemistry. B
|
July 21, 2006
A theoretical study of biotin chemisorption on Si-SiC(001) surfaces
Yosuke Kanai, Giancarlo Cicero, Annabella Selloni, et al.
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of 7