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The Journal of Physical Chemistry Letters
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March 20, 2024
Spin-Dependent Stereochemistry: A Nonadiabatic Quantum Dynamics Case Study of S + H<sub>2</sub> → SH + H Reaction
Xuezhi Bian, Joseph E Subotnik
The Journal of Chemical Physics
|
July 5, 2011
Decoherence and surface hopping: when can averaging over initial conditions help capture the effects of wave packet separation?
Joseph E Subotnik, Neil Shenvi
The Journal of Chemical Physics
|
January 14, 2023
A quantum-classical Liouville formalism in a preconditioned basis and its connection with phase-space surface hopping
Yanze Wu, Joseph E Subotnik
The Journal of Chemical Physics
|
July 3, 2017
Localized diabatization applied to excitons in molecular crystals
Zuxin Jin, Joseph E Subotnik
Journal of Chemical Theory and Computation
|
November 19, 2015
Erratum: "The Variationally Orbital-Adapted Configuration Interaction Singles (VOA-CIS) Approach to Electronically Excited States"
Xinle Liu, Joseph E Subotnik
The Journal of Chemical Physics
|
October 10, 2015
Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance
Amber Jain, Joseph E Subotnik
The Journal of Physical Chemistry. A
|
January 10, 2020
Nonadiabatic Molecular Dynamics at Metal Surfaces
Wenjie Dou, Joseph E Subotnik
Journal of Chemical Theory and Computation
|
January 29, 2021
Nonadiabatic Dynamics at Metal Surfaces: Fewest Switches Surface Hopping with Electronic Relaxation
Zuxin Jin, Joseph E Subotnik
Nature Communications
|
January 30, 2021
Electronic spin separation induced by nuclear motion near conical intersections
Yanze Wu, Joseph E Subotnik
Journal of Chemical Theory and Computation
|
July 3, 2023
A Dynamically Weighted Constrained Complete Active Space Ansatz for Constructing Multiple Potential Energy Surfaces within the Anderson-Holstein Model
Junhan Chen, Joseph E Subotnik
Page
of 17
Search research articles
Search
Showing results (11-20 of 165) with videos related to
Sort By:
Page
of 17
The Journal of Physical Chemistry Letters
|
March 20, 2024
Spin-Dependent Stereochemistry: A Nonadiabatic Quantum Dynamics Case Study of S + H<sub>2</sub> → SH + H Reaction
Xuezhi Bian, Joseph E Subotnik
The Journal of Chemical Physics
|
July 5, 2011
Decoherence and surface hopping: when can averaging over initial conditions help capture the effects of wave packet separation?
Joseph E Subotnik, Neil Shenvi
The Journal of Chemical Physics
|
January 14, 2023
A quantum-classical Liouville formalism in a preconditioned basis and its connection with phase-space surface hopping
Yanze Wu, Joseph E Subotnik
The Journal of Chemical Physics
|
July 3, 2017
Localized diabatization applied to excitons in molecular crystals
Zuxin Jin, Joseph E Subotnik
Journal of Chemical Theory and Computation
|
November 19, 2015
Erratum: "The Variationally Orbital-Adapted Configuration Interaction Singles (VOA-CIS) Approach to Electronically Excited States"
Xinle Liu, Joseph E Subotnik
The Journal of Chemical Physics
|
October 10, 2015
Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance
Amber Jain, Joseph E Subotnik
The Journal of Physical Chemistry. A
|
January 10, 2020
Nonadiabatic Molecular Dynamics at Metal Surfaces
Wenjie Dou, Joseph E Subotnik
Journal of Chemical Theory and Computation
|
January 29, 2021
Nonadiabatic Dynamics at Metal Surfaces: Fewest Switches Surface Hopping with Electronic Relaxation
Zuxin Jin, Joseph E Subotnik
Nature Communications
|
January 30, 2021
Electronic spin separation induced by nuclear motion near conical intersections
Yanze Wu, Joseph E Subotnik
Journal of Chemical Theory and Computation
|
July 3, 2023
A Dynamically Weighted Constrained Complete Active Space Ansatz for Constructing Multiple Potential Energy Surfaces within the Anderson-Holstein Model
Junhan Chen, Joseph E Subotnik
Page
of 17