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Scientific Reports
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October 21, 2016
Revealing Deactivation Pathways Hidden in Time-Resolved Photoelectron Spectra
Matthias Ruckenbauer, Sebastian Mai, Philipp Marquetand, et al.
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.
Physical Chemistry Chemical Physics : PCCP
|
July 2, 2025
Surface hopping simulations reveal deactivation pathways of a charge transfer system with planarizing and twisting motion
Julia Haberhauer, Sebastian Mai, 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.
The Journal of Chemical Physics
|
February 27, 2024
Interplay between protonation and Jahn-Teller effects in a manganese vanadium cubane water oxidation catalyst
Simon Tippner, Patrick Lechner, Leticia González, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2014
Ultrafast intersystem crossing dynamics in uracil unravelled by ab initio molecular dynamics
Martin Richter, Sebastian Mai, Philipp Marquetand, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 10, 2025
BSE@GW-based protocol for spin-vibronic quantum dynamics using the linear vibronic coupling model. Formulation and application to an Fe(II) compound
Florian Bogdain, Sebastian Mai, Leticia González, 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.
The Journal of Chemical Physics
|
February 22, 2016
Photoelectron spectra of 2-thiouracil, 4-thiouracil, and 2,4-dithiouracil
Matthias Ruckenbauer, Sebastian Mai, Philipp Marquetand, et al.
The Journal of Chemical Physics
|
June 23, 2026
The entropic barrier around the conical intersection seam
Johannes C B Dietschreit, Sebastian Mai, Leticia González
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Search research articles
Search
Showing results (21-30 of 78) with videos related to
Sort By:
Page
of 8
Scientific Reports
|
October 21, 2016
Revealing Deactivation Pathways Hidden in Time-Resolved Photoelectron Spectra
Matthias Ruckenbauer, Sebastian Mai, Philipp Marquetand, et al.
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.
Physical Chemistry Chemical Physics : PCCP
|
July 2, 2025
Surface hopping simulations reveal deactivation pathways of a charge transfer system with planarizing and twisting motion
Julia Haberhauer, Sebastian Mai, 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.
The Journal of Chemical Physics
|
February 27, 2024
Interplay between protonation and Jahn-Teller effects in a manganese vanadium cubane water oxidation catalyst
Simon Tippner, Patrick Lechner, Leticia González, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2014
Ultrafast intersystem crossing dynamics in uracil unravelled by ab initio molecular dynamics
Martin Richter, Sebastian Mai, Philipp Marquetand, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 10, 2025
BSE@GW-based protocol for spin-vibronic quantum dynamics using the linear vibronic coupling model. Formulation and application to an Fe(II) compound
Florian Bogdain, Sebastian Mai, Leticia González, 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.
The Journal of Chemical Physics
|
February 22, 2016
Photoelectron spectra of 2-thiouracil, 4-thiouracil, and 2,4-dithiouracil
Matthias Ruckenbauer, Sebastian Mai, Philipp Marquetand, et al.
The Journal of Chemical Physics
|
June 23, 2026
The entropic barrier around the conical intersection seam
Johannes C B Dietschreit, Sebastian Mai, Leticia González
Page
of 8