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Chemical Science
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May 26, 2025
Ultrafast solvent migration in an iron complex revealed by nonadiabatic dynamics simulations
Severin Polonius, Leticia González, Sebastian Mai
Journal of Chemical Theory and Computation
|
May 20, 2024
Resolving Photoinduced Femtosecond Three-Dimensional Solute-Solvent Dynamics through Surface Hopping Simulations
Severin Polonius, David Lehrner, Leticia González, et al.
Journal of Chemical Theory and Computation
|
September 10, 2025
Efficient, Hierarchical, and Object-Oriented Electronic Structure Interfaces for Direct Nonadiabatic Dynamics Simulations
Sascha Mausenberger, Severin Polonius, Sebastian Mai, et al.
Journal of Chemical Theory and Computation
|
October 3, 2023
LVC/MM: A Hybrid Linear Vibronic Coupling/Molecular Mechanics Model with Distributed Multipole-Based Electrostatic Embedding for Highly Efficient Surface Hopping Dynamics in Solution
Severin Polonius, Oleksandra Zhuravel, Brigitta Bachmair, et al.
Journal of Chemical Theory and Computation
|
June 17, 2024
Excitonic Configuration Interaction: Going Beyond the Frenkel Exciton Model
Tomislav Piteša, Severin Polonius, Leticia González, et al.
The Journal of Physical Chemistry. A
|
March 4, 2025
Parametrization of Linear Vibronic Coupling Models for Degenerate Electronic States
Dilara Farkhutdinova, Severin Polonius, Paul Karrer, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Chemical Science
|
May 26, 2025
Ultrafast solvent migration in an iron complex revealed by nonadiabatic dynamics simulations
Severin Polonius, Leticia González, Sebastian Mai
Journal of Chemical Theory and Computation
|
May 20, 2024
Resolving Photoinduced Femtosecond Three-Dimensional Solute-Solvent Dynamics through Surface Hopping Simulations
Severin Polonius, David Lehrner, Leticia González, et al.
Journal of Chemical Theory and Computation
|
September 10, 2025
Efficient, Hierarchical, and Object-Oriented Electronic Structure Interfaces for Direct Nonadiabatic Dynamics Simulations
Sascha Mausenberger, Severin Polonius, Sebastian Mai, et al.
Journal of Chemical Theory and Computation
|
October 3, 2023
LVC/MM: A Hybrid Linear Vibronic Coupling/Molecular Mechanics Model with Distributed Multipole-Based Electrostatic Embedding for Highly Efficient Surface Hopping Dynamics in Solution
Severin Polonius, Oleksandra Zhuravel, Brigitta Bachmair, et al.
Journal of Chemical Theory and Computation
|
June 17, 2024
Excitonic Configuration Interaction: Going Beyond the Frenkel Exciton Model
Tomislav Piteša, Severin Polonius, Leticia González, et al.
The Journal of Physical Chemistry. A
|
March 4, 2025
Parametrization of Linear Vibronic Coupling Models for Degenerate Electronic States
Dilara Farkhutdinova, Severin Polonius, Paul Karrer, et al.
Page
of 1