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Physical Chemistry Chemical Physics : PCCP
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April 3, 2025
Revisiting the intricate photodissociation mechanism of ammonia along the minor NH + H<sub>2</sub> pathway
Brigitta Bachmair, Johannes C B Dietschreit, Leticia González
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.
The Journal of Physical Chemistry Letters
|
May 13, 2026
NATPS: Nonadiabatic Transition Path Sampling Using the Time-Reversible Mapping Approach to Surface Hopping
Xiran Yang, Madlen Maria Reiner, Brigitta Bachmair, et al.
Journal of Chemical Theory and Computation
|
March 1, 2023
Nonadiabatic Forward Flux Sampling for Excited-State Rare Events
Madlen Maria Reiner, Brigitta Bachmair, Maximilian Xaver Tiefenbacher, et al.
Digital Discovery
|
May 12, 2025
Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentials
Maximilian X Tiefenbacher, Brigitta Bachmair, Cheng Giuseppe Chen, et al.
Chemical Science
|
September 17, 2025
Machine learning for nonadiabatic molecular dynamics: best practices and recent progress
Carolin Müller, Štěpán Sršeň, Brigitta Bachmair, 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
Physical Chemistry Chemical Physics : PCCP
|
April 3, 2025
Revisiting the intricate photodissociation mechanism of ammonia along the minor NH + H<sub>2</sub> pathway
Brigitta Bachmair, Johannes C B Dietschreit, Leticia González
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.
The Journal of Physical Chemistry Letters
|
May 13, 2026
NATPS: Nonadiabatic Transition Path Sampling Using the Time-Reversible Mapping Approach to Surface Hopping
Xiran Yang, Madlen Maria Reiner, Brigitta Bachmair, et al.
Journal of Chemical Theory and Computation
|
March 1, 2023
Nonadiabatic Forward Flux Sampling for Excited-State Rare Events
Madlen Maria Reiner, Brigitta Bachmair, Maximilian Xaver Tiefenbacher, et al.
Digital Discovery
|
May 12, 2025
Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentials
Maximilian X Tiefenbacher, Brigitta Bachmair, Cheng Giuseppe Chen, et al.
Chemical Science
|
September 17, 2025
Machine learning for nonadiabatic molecular dynamics: best practices and recent progress
Carolin Müller, Štěpán Sršeň, Brigitta Bachmair, et al.
Page
of 1