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Julia Westermayr

Showing results (21-30 of 26) with videos related to

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Digital Discovery|May 12, 2025
Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentialsMaximilian X Tiefenbacher, Brigitta Bachmair, Cheng Giuseppe Chen, et al.
The Journal of Chemical Physics|May 7, 2022
NQCDynamics.jl: A Julia package for nonadiabatic quantum classical molecular dynamics in the condensed phaseJames Gardner, Oscar A Douglas-Gallardo, Wojciech G Stark, et al.
Chemical Science|September 17, 2025
Machine learning for nonadiabatic molecular dynamics: best practices and recent progressCarolin Müller, Štěpán Sršeň, Brigitta Bachmair, et al.
Inorganic Chemistry|June 11, 2021
Tridentate 3-Substituted Naphthoquinone Ruthenium Arene Complexes: Synthesis, Characterization, Aqueous Behavior, and Theoretical and Biological StudiesHeiko Geisler, Julia Westermayr, Klaudia Cseh, et al.
Pharmaceutics|November 26, 2022
Arene Variation of Highly Cytotoxic Tridentate Naphthoquinone-Based Ruthenium(II) Complexes and In-Depth In Vitro StudiesKlaudia Cseh, Heiko Geisler, Kristina Stanojkovska, et al.
The Journal of Physical Chemistry. A|July 8, 2025
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and DynamicsFelix Plasser, Hans Lischka, Ron Shepard, et al.
Pageof 3

Showing results (21-30 of 26) with videos related to

Sort By:
Pageof 3
You have reached the last page of results.This site can display upto 26 results.
Digital Discovery|May 12, 2025
Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentialsMaximilian X Tiefenbacher, Brigitta Bachmair, Cheng Giuseppe Chen, et al.
The Journal of Chemical Physics|May 7, 2022
NQCDynamics.jl: A Julia package for nonadiabatic quantum classical molecular dynamics in the condensed phaseJames Gardner, Oscar A Douglas-Gallardo, Wojciech G Stark, et al.
Chemical Science|September 17, 2025
Machine learning for nonadiabatic molecular dynamics: best practices and recent progressCarolin Müller, Štěpán Sršeň, Brigitta Bachmair, et al.
Inorganic Chemistry|June 11, 2021
Tridentate 3-Substituted Naphthoquinone Ruthenium Arene Complexes: Synthesis, Characterization, Aqueous Behavior, and Theoretical and Biological StudiesHeiko Geisler, Julia Westermayr, Klaudia Cseh, et al.
Pharmaceutics|November 26, 2022
Arene Variation of Highly Cytotoxic Tridentate Naphthoquinone-Based Ruthenium(II) Complexes and In-Depth In Vitro StudiesKlaudia Cseh, Heiko Geisler, Kristina Stanojkovska, et al.
The Journal of Physical Chemistry. A|July 8, 2025
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and DynamicsFelix Plasser, Hans Lischka, Ron Shepard, et al.
Pageof 3