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Journal of the American Chemical Society
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April 22, 2024
Overdestabilization vs Overstabilization in the Theoretical Analysis of f-Orbital Covalency
Kirill D Shumilov, Andrew J Jenkins, Henry S La Pierre, et al.
The Journal of Chemical Physics
|
September 10, 2018
The Ehrenfest method with fully quantum nuclear motion (Qu-Eh): Application to charge migration in radical cations
Andrew J Jenkins, K Eryn Spinlove, Morgane Vacher, et al.
The Journal of Physical Chemistry Letters
|
June 26, 2023
Coherent Mixing of Singlet and Triplet States in Acrolein and Ketene: A Computational Strategy for Simulating the Electron-Nuclear Dynamics of Intersystem Crossing
Don Danilov, Andrew J Jenkins, Michael J Bearpark, et al.
The Journal of Chemical Physics
|
November 3, 2016
Charge migration in polycyclic norbornadiene cations: Winning the race against decoherence
Andrew J Jenkins, Morgane Vacher, Rebecca M Twidale, et al.
The Journal of Physical Chemistry Letters
|
November 10, 2020
The "Hole" Story in Ionized Water from the Perspective of Ehrenfest Dynamics
Lixin Lu, Andrew Wildman, Andrew J Jenkins, et al.
Journal of Chemical Theory and Computation
|
April 11, 2020
Relativistic Two-Component Multireference Configuration Interaction Method with Tunable Correlation Space
Hang Hu, Andrew J Jenkins, Hongbin Liu, et al.
Journal of Chemical Theory and Computation
|
January 29, 2019
Time-Dependent Complete Active Space Embedded in a Polarizable Force Field
Hongbin Liu, Andrew J Jenkins, Andrew Wildman, et al.
Faraday Discussions
|
October 11, 2016
Electron and nuclear dynamics following ionisation of modified bismethylene-adamantane
Morgane Vacher, Fabio E A Albertani, Andrew J Jenkins, et al.
JACS Au
|
March 6, 2023
State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin-Orbit Coupling: Benchmark and Perspectives
Can Liao, Joseph M Kasper, Andrew J Jenkins, et al.
The Journal of Physical Chemistry. A
|
March 15, 2024
Comparison of Variational and Perturbative Spin-Orbit Coupling within Two-Component CASSCF
Can Liao, Chad E Hoyer, Rahoul Banerjee Ghosh, et al.
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of 3
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Showing results (11-20 of 22) with videos related to
Sort By:
Page
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Journal of the American Chemical Society
|
April 22, 2024
Overdestabilization vs Overstabilization in the Theoretical Analysis of f-Orbital Covalency
Kirill D Shumilov, Andrew J Jenkins, Henry S La Pierre, et al.
The Journal of Chemical Physics
|
September 10, 2018
The Ehrenfest method with fully quantum nuclear motion (Qu-Eh): Application to charge migration in radical cations
Andrew J Jenkins, K Eryn Spinlove, Morgane Vacher, et al.
The Journal of Physical Chemistry Letters
|
June 26, 2023
Coherent Mixing of Singlet and Triplet States in Acrolein and Ketene: A Computational Strategy for Simulating the Electron-Nuclear Dynamics of Intersystem Crossing
Don Danilov, Andrew J Jenkins, Michael J Bearpark, et al.
The Journal of Chemical Physics
|
November 3, 2016
Charge migration in polycyclic norbornadiene cations: Winning the race against decoherence
Andrew J Jenkins, Morgane Vacher, Rebecca M Twidale, et al.
The Journal of Physical Chemistry Letters
|
November 10, 2020
The "Hole" Story in Ionized Water from the Perspective of Ehrenfest Dynamics
Lixin Lu, Andrew Wildman, Andrew J Jenkins, et al.
Journal of Chemical Theory and Computation
|
April 11, 2020
Relativistic Two-Component Multireference Configuration Interaction Method with Tunable Correlation Space
Hang Hu, Andrew J Jenkins, Hongbin Liu, et al.
Journal of Chemical Theory and Computation
|
January 29, 2019
Time-Dependent Complete Active Space Embedded in a Polarizable Force Field
Hongbin Liu, Andrew J Jenkins, Andrew Wildman, et al.
Faraday Discussions
|
October 11, 2016
Electron and nuclear dynamics following ionisation of modified bismethylene-adamantane
Morgane Vacher, Fabio E A Albertani, Andrew J Jenkins, et al.
JACS Au
|
March 6, 2023
State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin-Orbit Coupling: Benchmark and Perspectives
Can Liao, Joseph M Kasper, Andrew J Jenkins, et al.
The Journal of Physical Chemistry. A
|
March 15, 2024
Comparison of Variational and Perturbative Spin-Orbit Coupling within Two-Component CASSCF
Can Liao, Chad E Hoyer, Rahoul Banerjee Ghosh, et al.
Page
of 3