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February 20, 2024
Beyond MD17: the reactive xxMD dataset
Zihan Pengmei, Junyu Liu, Yinan Shu
Journal of Computational Chemistry
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November 8, 2024
DC24: A new density coherence functional for multiconfiguration density-coherence functional theory
Dayou Zhang, Yinan Shu, Donald G Truhlar
Nature Computational Science
|
March 28, 2026
Progress and prospects of density functional development
Donald G Truhlar, Dayou Zhang, Yinan Shu
The Journal of Chemical Physics
|
June 22, 2026
Nonadiabatic dynamics starting from reactant and transition state in luminol chemiluminescence
Jian-Ge Zhou, Yinan Shu, Gabrielle Williams
Journal of Chemical Theory and Computation
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June 25, 2026
Reinventing Density Functional Theory with Machine Learning on Integral Features
Dayou Zhang, Yinan Shu, 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
The Journal of Physical Chemistry. A
|
March 8, 2019
A Conical Intersection Perspective on the Low Nonradiative Recombination Rate in Lead Halide Perovskites
Michael P Esch, Yinan Shu, Benjamin G Levine
Nano Letters
|
August 21, 2015
Defect-Induced Conical Intersections Promote Nonradiative Recombination
Yinan Shu, B Scott Fales, Benjamin G Levine
The Journal of Chemical Physics
|
January 17, 2015
Configuration interaction singles natural orbitals: an orbital basis for an efficient and size intensive multireference description of electronic excited states
Yinan Shu, Edward G Hohenstein, Benjamin G Levine
Page
of 6
Search research articles
Search
Showing results (11-20 of 59) with videos related to
Sort By:
Page
of 6
Scientific Data
|
February 20, 2024
Beyond MD17: the reactive xxMD dataset
Zihan Pengmei, Junyu Liu, Yinan Shu
Journal of Computational Chemistry
|
November 8, 2024
DC24: A new density coherence functional for multiconfiguration density-coherence functional theory
Dayou Zhang, Yinan Shu, Donald G Truhlar
Nature Computational Science
|
March 28, 2026
Progress and prospects of density functional development
Donald G Truhlar, Dayou Zhang, Yinan Shu
The Journal of Chemical Physics
|
June 22, 2026
Nonadiabatic dynamics starting from reactant and transition state in luminol chemiluminescence
Jian-Ge Zhou, Yinan Shu, Gabrielle Williams
Journal of Chemical Theory and Computation
|
June 25, 2026
Reinventing Density Functional Theory with Machine Learning on Integral Features
Dayou Zhang, Yinan Shu, 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
The Journal of Physical Chemistry. A
|
March 8, 2019
A Conical Intersection Perspective on the Low Nonradiative Recombination Rate in Lead Halide Perovskites
Michael P Esch, Yinan Shu, Benjamin G Levine
Nano Letters
|
August 21, 2015
Defect-Induced Conical Intersections Promote Nonradiative Recombination
Yinan Shu, B Scott Fales, Benjamin G Levine
The Journal of Chemical Physics
|
January 17, 2015
Configuration interaction singles natural orbitals: an orbital basis for an efficient and size intensive multireference description of electronic excited states
Yinan Shu, Edward G Hohenstein, Benjamin G Levine
Page
of 6