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Journal of Chemical Theory and Computation
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January 9, 2023
Decoherence and Its Role in Electronically Nonadiabatic Dynamics
Yinan Shu, Donald G Truhlar
Journal of the American Chemical Society
|
September 7, 2017
Doubly Excited Character or Static Correlation of the Reference State in the Controversial 2<sup>1</sup>A<sub>g</sub> State of trans-Butadiene?
Yinan Shu, Donald G Truhlar
The Journal of Chemical Physics
|
September 7, 2013
Communication: Non-radiative recombination via conical intersection at a semiconductor defect
Yinan Shu, Benjamin G Levine
Journal of Chemical Theory and Computation
|
September 4, 2020
Diabatization by Machine Intelligence
Yinan Shu, Donald G Truhlar
Journal of Chemical Theory and Computation
|
May 27, 2020
Relationships between Orbital Energies, Optical and Fundamental Gaps, and Exciton Shifts in Approximate Density Functional Theory and Quasiparticle Theory
Yinan Shu, Donald G Truhlar
The Journal of Physical Chemistry. A
|
April 26, 2024
Improved Local-Mode Zero-Point-Energy Conservation Scheme for Quasiclassical Trajectories
Yinan Shu, Donald G Truhlar
The Journal of Chemical Physics
|
August 24, 2013
Reducing the propensity for unphysical wavefunction symmetry breaking in multireference calculations of the excited states of semiconductor clusters
Yinan Shu, Benjamin G Levine
The Journal of Physical Chemistry. A
|
January 26, 2025
Spin-Orbit Coupling and Admixture Coefficients in SA-CASSCF and MS-CASPT2, and Triplet Excitation Yield Simulated via Trajectory Surface Hopping and Calibrated SA-CASSCF in 1,2-Dioxetane Derivatives
Jian-Ge Zhou, Yinan Shu
The Journal of Chemical Physics
|
March 18, 2015
Simulated evolution of fluorophores for light emitting diodes
Yinan Shu, Benjamin G Levine
Journal of Chemical Theory and Computation
|
May 31, 2024
Generalized Semiclassical Ehrenfest Method: A Route to Wave Function-Free Photochemistry and Nonadiabatic Dynamics with Only Potential Energies and Gradients
Yinan Shu, Donald G Truhlar
Page
of 6
Search research articles
Search
Showing results (1-10 of 59) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
January 9, 2023
Decoherence and Its Role in Electronically Nonadiabatic Dynamics
Yinan Shu, Donald G Truhlar
Journal of the American Chemical Society
|
September 7, 2017
Doubly Excited Character or Static Correlation of the Reference State in the Controversial 2<sup>1</sup>A<sub>g</sub> State of trans-Butadiene?
Yinan Shu, Donald G Truhlar
The Journal of Chemical Physics
|
September 7, 2013
Communication: Non-radiative recombination via conical intersection at a semiconductor defect
Yinan Shu, Benjamin G Levine
Journal of Chemical Theory and Computation
|
September 4, 2020
Diabatization by Machine Intelligence
Yinan Shu, Donald G Truhlar
Journal of Chemical Theory and Computation
|
May 27, 2020
Relationships between Orbital Energies, Optical and Fundamental Gaps, and Exciton Shifts in Approximate Density Functional Theory and Quasiparticle Theory
Yinan Shu, Donald G Truhlar
The Journal of Physical Chemistry. A
|
April 26, 2024
Improved Local-Mode Zero-Point-Energy Conservation Scheme for Quasiclassical Trajectories
Yinan Shu, Donald G Truhlar
The Journal of Chemical Physics
|
August 24, 2013
Reducing the propensity for unphysical wavefunction symmetry breaking in multireference calculations of the excited states of semiconductor clusters
Yinan Shu, Benjamin G Levine
The Journal of Physical Chemistry. A
|
January 26, 2025
Spin-Orbit Coupling and Admixture Coefficients in SA-CASSCF and MS-CASPT2, and Triplet Excitation Yield Simulated via Trajectory Surface Hopping and Calibrated SA-CASSCF in 1,2-Dioxetane Derivatives
Jian-Ge Zhou, Yinan Shu
The Journal of Chemical Physics
|
March 18, 2015
Simulated evolution of fluorophores for light emitting diodes
Yinan Shu, Benjamin G Levine
Journal of Chemical Theory and Computation
|
May 31, 2024
Generalized Semiclassical Ehrenfest Method: A Route to Wave Function-Free Photochemistry and Nonadiabatic Dynamics with Only Potential Energies and Gradients
Yinan Shu, Donald G Truhlar
Page
of 6