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Journal of Chemical Theory and Computation
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November 13, 2022
Active Spaces and Non-Orthogonal Configuration Interaction Approaches for Investigating Molecules on Metal Surfaces
Junhan Chen, Wenjie Dou, Joseph Subotnik
The Journal of Chemical Physics
|
September 23, 2020
A "backtracking" correction for the fewest switches surface hopping algorithm
Gaohan Miao, Xuezhi Bian, Zeyu Zhou, et al.
The Journal of Chemical Physics
|
July 3, 2025
Chiral vibrational modes in small molecules
Jichen Feng, Ethan Abraham, Joseph Subotnik, et al.
The Journal of Chemical Physics
|
December 31, 2022
Analytical gradients and derivative couplings for the TDDFT-1D method
Vishikh Athavale, Hung-Hsuan Teh, Yihan Shao, et al.
The Journal of Chemical Physics
|
October 14, 2025
An extremely efficient algorithm for (2,2) dynamically weighted constrained complete active space calculations
Junhan Chen, Xinchun Wu, Yihan Shao, et al.
The Journal of Chemical Physics
|
August 24, 2019
A demonstration of consistency between the quantum classical Liouville equation and Berry's phase and curvature for the case of complex Hamiltonians
Joseph Subotnik, Gaohan Miao, Nicole Bellonzi, et al.
The Journal of Chemical Physics
|
June 24, 2025
Symmetry breaking as predicted by a phase space Hamiltonian with a spin Coriolis potential
Nadine C Bradbury, Titouan Duston, Zhen Tao, et al.
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of 2
Search research articles
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Showing results (11-20 of 17) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 17 results.
Journal of Chemical Theory and Computation
|
November 13, 2022
Active Spaces and Non-Orthogonal Configuration Interaction Approaches for Investigating Molecules on Metal Surfaces
Junhan Chen, Wenjie Dou, Joseph Subotnik
The Journal of Chemical Physics
|
September 23, 2020
A "backtracking" correction for the fewest switches surface hopping algorithm
Gaohan Miao, Xuezhi Bian, Zeyu Zhou, et al.
The Journal of Chemical Physics
|
July 3, 2025
Chiral vibrational modes in small molecules
Jichen Feng, Ethan Abraham, Joseph Subotnik, et al.
The Journal of Chemical Physics
|
December 31, 2022
Analytical gradients and derivative couplings for the TDDFT-1D method
Vishikh Athavale, Hung-Hsuan Teh, Yihan Shao, et al.
The Journal of Chemical Physics
|
October 14, 2025
An extremely efficient algorithm for (2,2) dynamically weighted constrained complete active space calculations
Junhan Chen, Xinchun Wu, Yihan Shao, et al.
The Journal of Chemical Physics
|
August 24, 2019
A demonstration of consistency between the quantum classical Liouville equation and Berry's phase and curvature for the case of complex Hamiltonians
Joseph Subotnik, Gaohan Miao, Nicole Bellonzi, et al.
The Journal of Chemical Physics
|
June 24, 2025
Symmetry breaking as predicted by a phase space Hamiltonian with a spin Coriolis potential
Nadine C Bradbury, Titouan Duston, Zhen Tao, et al.
Page
of 2