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The Journal of Chemical Physics
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June 24, 2016
An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra
Joshua J Goings, Xiaosong Li
Journal of the American Chemical Society
|
November 20, 2019
Early Photocycle of Slr1694 Blue-Light Using Flavin Photoreceptor Unraveled through Adiabatic Excited-State Quantum Mechanical/Molecular Mechanical Dynamics
Joshua J Goings, Sharon Hammes-Schiffer
ACS Central Science
|
October 1, 2020
Nonequilibrium Dynamics of Proton-Coupled Electron Transfer in Proton Wires: Concerted but Asynchronous Mechanisms
Joshua J Goings, Sharon Hammes-Schiffer
The Journal of Physical Chemistry. A
|
November 4, 2016
Viewpoints on the 2016 Theory and Applications of Computational Chemistry Conference
Tiecheng Zhou, Joshua J Goings, Zhou Lin
The Journal of Physical Chemistry Letters
|
December 16, 2016
Can Quantized Vibrational Effects Be Obtained from Ehrenfest Mixed Quantum-Classical Dynamics?
Joshua J Goings, David B Lingerfelt, Xiaosong Li
Journal of Chemical Theory and Computation
|
October 18, 2016
Accelerating Real-Time Time-Dependent Density Functional Theory with a Nonrecursive Chebyshev Expansion of the Quantum Propagator
David Williams-Young, Joshua J Goings, Xiaosong Li
The Journal of Physical Chemistry. B
|
December 20, 2018
Electron-Coupled Double Proton Transfer in the Slr1694 BLUF Photoreceptor: A Multireference Electronic Structure Study
Elvira R Sayfutyarova, Joshua J Goings, Sharon Hammes-Schiffer
Journal of the American Chemical Society
|
October 9, 2018
Propensity for Proton Relay and Electrostatic Impact of Protein Reorganization in Slr1694 BLUF Photoreceptor
Joshua J Goings, Clorice R Reinhardt, Sharon Hammes-Schiffer
Journal of Chemical Theory and Computation
|
August 23, 2021
Reinforcement Learning Configuration Interaction
Joshua J Goings, Hang Hu, Chao Yang, et al.
The Journal of Chemical Physics
|
April 24, 2015
Stability of the complex generalized Hartree-Fock equations
Joshua J Goings, Feizhi Ding, Michael J Frisch, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 30) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
June 24, 2016
An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra
Joshua J Goings, Xiaosong Li
Journal of the American Chemical Society
|
November 20, 2019
Early Photocycle of Slr1694 Blue-Light Using Flavin Photoreceptor Unraveled through Adiabatic Excited-State Quantum Mechanical/Molecular Mechanical Dynamics
Joshua J Goings, Sharon Hammes-Schiffer
ACS Central Science
|
October 1, 2020
Nonequilibrium Dynamics of Proton-Coupled Electron Transfer in Proton Wires: Concerted but Asynchronous Mechanisms
Joshua J Goings, Sharon Hammes-Schiffer
The Journal of Physical Chemistry. A
|
November 4, 2016
Viewpoints on the 2016 Theory and Applications of Computational Chemistry Conference
Tiecheng Zhou, Joshua J Goings, Zhou Lin
The Journal of Physical Chemistry Letters
|
December 16, 2016
Can Quantized Vibrational Effects Be Obtained from Ehrenfest Mixed Quantum-Classical Dynamics?
Joshua J Goings, David B Lingerfelt, Xiaosong Li
Journal of Chemical Theory and Computation
|
October 18, 2016
Accelerating Real-Time Time-Dependent Density Functional Theory with a Nonrecursive Chebyshev Expansion of the Quantum Propagator
David Williams-Young, Joshua J Goings, Xiaosong Li
The Journal of Physical Chemistry. B
|
December 20, 2018
Electron-Coupled Double Proton Transfer in the Slr1694 BLUF Photoreceptor: A Multireference Electronic Structure Study
Elvira R Sayfutyarova, Joshua J Goings, Sharon Hammes-Schiffer
Journal of the American Chemical Society
|
October 9, 2018
Propensity for Proton Relay and Electrostatic Impact of Protein Reorganization in Slr1694 BLUF Photoreceptor
Joshua J Goings, Clorice R Reinhardt, Sharon Hammes-Schiffer
Journal of Chemical Theory and Computation
|
August 23, 2021
Reinforcement Learning Configuration Interaction
Joshua J Goings, Hang Hu, Chao Yang, et al.
The Journal of Chemical Physics
|
April 24, 2015
Stability of the complex generalized Hartree-Fock equations
Joshua J Goings, Feizhi Ding, Michael J Frisch, et al.
Page
of 3