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The Journal of Physical Chemistry. B
|
September 8, 2024
Undulating Free Energy Landscapes Buffer Redox Chains from Environmental Fluctuations
Kelsey A Parker, David N Beratan
The Journal of Chemical Physics
|
July 3, 2020
Semiglobal diabatic potential energy matrix for the N-H photodissociation of methylamine
Kelsey A Parker, Donald G Truhlar
The Journal of Physical Chemistry. A
|
December 5, 2017
Dual-Functional Tamm-Dancoff Approximation with Self-Interaction-Free Orbitals: Vertical Excitation Energies and Potential Energy Surfaces near an Intersection Seam
Yinan Shu, Kelsey A Parker, Donald G Truhlar
The Journal of Physical Chemistry Letters
|
April 19, 2017
Dual-Functional Tamm-Dancoff Approximation: A Convenient Density Functional Method that Correctly Describes S<sub>1</sub>/S<sub>0</sub> Conical Intersections
Yinan Shu, Kelsey A Parker, Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP
|
October 16, 2018
Direct diabatization based on nonadiabatic couplings: the N/D method
Zoltan Varga, Kelsey A Parker, Donald G Truhlar
The Journal of Physical Chemistry Letters
|
May 5, 2025
Machine Learning for Video Classification Enables Quantifying Intermolecular Couplings from Simulated Time-Evolved Multidimensional Spectra
Bashir Sbaiti, Jonathan D Schultz, Kelsey A Parker, et al.
Journal of the American Chemical Society
|
November 12, 2024
Efficiency Limits of Energy Conversion by Light-Driven Redox Chains
Jonathan D Schultz, Kelsey A Parker, Michael J Therien, et al.
The Journal of Physical Chemistry Letters
|
August 5, 2022
Mapping Simulated Two-Dimensional Spectra to Molecular Models Using Machine Learning
Kelsey A Parker, Jonathan D Schultz, Niven Singh, et al.
The Journal of Physical Chemistry Letters
|
January 21, 2020
Conservation of Angular Momentum in Direct Nonadiabatic Dynamics
Yinan Shu, Linyao Zhang, Zoltán Varga, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 30, 2018
Extended Hamiltonian molecular dynamics: semiclassical trajectories with improved maintenance of zero point energy
Yinan Shu, Sijia S Dong, Kelsey A Parker, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. B
|
September 8, 2024
Undulating Free Energy Landscapes Buffer Redox Chains from Environmental Fluctuations
Kelsey A Parker, David N Beratan
The Journal of Chemical Physics
|
July 3, 2020
Semiglobal diabatic potential energy matrix for the N-H photodissociation of methylamine
Kelsey A Parker, Donald G Truhlar
The Journal of Physical Chemistry. A
|
December 5, 2017
Dual-Functional Tamm-Dancoff Approximation with Self-Interaction-Free Orbitals: Vertical Excitation Energies and Potential Energy Surfaces near an Intersection Seam
Yinan Shu, Kelsey A Parker, Donald G Truhlar
The Journal of Physical Chemistry Letters
|
April 19, 2017
Dual-Functional Tamm-Dancoff Approximation: A Convenient Density Functional Method that Correctly Describes S<sub>1</sub>/S<sub>0</sub> Conical Intersections
Yinan Shu, Kelsey A Parker, Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP
|
October 16, 2018
Direct diabatization based on nonadiabatic couplings: the N/D method
Zoltan Varga, Kelsey A Parker, Donald G Truhlar
The Journal of Physical Chemistry Letters
|
May 5, 2025
Machine Learning for Video Classification Enables Quantifying Intermolecular Couplings from Simulated Time-Evolved Multidimensional Spectra
Bashir Sbaiti, Jonathan D Schultz, Kelsey A Parker, et al.
Journal of the American Chemical Society
|
November 12, 2024
Efficiency Limits of Energy Conversion by Light-Driven Redox Chains
Jonathan D Schultz, Kelsey A Parker, Michael J Therien, et al.
The Journal of Physical Chemistry Letters
|
August 5, 2022
Mapping Simulated Two-Dimensional Spectra to Molecular Models Using Machine Learning
Kelsey A Parker, Jonathan D Schultz, Niven Singh, et al.
The Journal of Physical Chemistry Letters
|
January 21, 2020
Conservation of Angular Momentum in Direct Nonadiabatic Dynamics
Yinan Shu, Linyao Zhang, Zoltán Varga, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 30, 2018
Extended Hamiltonian molecular dynamics: semiclassical trajectories with improved maintenance of zero point energy
Yinan Shu, Sijia S Dong, Kelsey A Parker, et al.
Page
of 1