Publications by authors named "Volker Engel"

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Differential Shannon entropies and correlation measures for Born-Oppenheimer electron-nuclear dynamics: numerical results and their analytical interpretation.
Peter Schürger, Volker Engel

Phys Chem Chem Phys· October 2023

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Differential Shannon Entropies Characterizing Electron-Nuclear Dynamics and Correlation: Momentum-Space Versus Coordinate-Space Wave Packet Motion.
Peter Schürger, Volker Engel

Entropy (Basel)· June 2023

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Information Theoretical Approach to Coupled Electron-Nuclear Wave Packet Dynamics: Time-Dependent Differential Shannon Entropies.
Peter Schürger, Volker Engel

J Phys Chem Lett· January 2023

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Third-order pump-probe spectroscopy applied to molecular dimers: characterization of relaxation dynamics and exciton-exciton annihilation.
Fabian Glaab, Jasmin Süβ, Volker Engel

Phys Chem Chem Phys· October 2022

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Nuclear-Electron Correlation Effects and Their Photoelectron Imprint in Molecular XUV Ionisation.
Karl Michael Ziems, Jakob Bruhnke, Volker Engel, Stefanie Gräfe

Front Chem· August 2022

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Quantum flux densities for electronic-nuclear motion: exact versus Born-Oppenheimer dynamics.
Thomas Schaupp, Volker Engel

Philos Trans A Math Phys Eng Sci· May 2022

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Wave packet dynamics in an harmonic potential disturbed by disorder: Entropy, uncertainty, and vibrational revivals.
Peter Schürger, Thomas Schaupp, Dustin Kaiser, Bernd Engels, Volker Engel

J Chem Phys· February 2022

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Correlated three-dimensional electron-nuclear motion: Adiabatic dynamics vs passage of conical intersections.
Thomas Schaupp, Volker Engel

J Chem Phys· February 2022

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Excitation localization in a trimeric perylenediimide macrocycle: Synthesis, theory, and single molecule spectroscopy.
Simon J Hauschildt, Zehua Wu, Daniel Uersfeld, Paul Schmid, Christian Götz, Volker Engel, Bernd Engels

J Chem Phys· January 2022

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Twisting versus Delocalization in CAAC- and NHC-Stabilized Boron-Based Biradicals: The Roles of Sterics and Electronics.
Paul Schmid, Felipe Fantuzzi, Jonas Klopf, Niklas B Schröder, Rian D Dewhurst, Volker Engel, Bernd Engels

Chemistry· March 2021

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Twisting versus Delocalization in CAAC- and NHC-Stabilized Boron-Based Biradicals: The Roles of Sterics and Electronics.
Paul Schmid, Felipe Fantuzzi, Jonas Klopf, Niklas B Schröder, Rian D Dewhurst, Volker Engel, Bernd Engels

Chemistry· March 2021

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Time-dependent momentum expectation values from different quantum probability and flux densities.
Thomas Schaupp, Klaus Renziehausen, Ingo Barth, Volker Engel

J Chem Phys· February 2021

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cAAC-Stabilized 9,10-diboraanthracenes-Acenes with Open-Shell Singlet Biradical Ground States.
Christian Saalfrank, Felipe Fantuzzi, Thomas Kupfer, Benedikt Ritschel, Kai Hammond, Volker Engel, Bernd Engels

Angew Chem Int Ed Engl· October 2020

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Born-Oppenheimer and non-Born-Oppenheimer contributions to time-dependent electron momenta.
Thomas Schaupp, Volker Engel

J Chem Phys· May 2020

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Naphthoquinones as Covalent Reversible Inhibitors of Cysteine Proteases-Studies on Inhibition Mechanism and Kinetics.
Philipp Klein, Fabian Barthels, Patrick Johe, Annika Wagner, Stefan Tenzer, Volker Engel, Bernd Engels

Molecules· April 2020

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Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions.
Soren K Mellerup, Yunshu Cui, Felipe Fantuzzi, Paul Schmid, James T Goettel, Volker Engel, Bernd Engels

J Am Chem Soc· October 2019

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Electronic and nuclear flux dynamics at a conical intersection.
Thomas Schaupp, Volker Engel

J Chem Phys· August 2019

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Optically Induced Electron Transfer in Mixed-Valence States: A Model Study on Electronic Transitions, Relaxation Dynamics, and Transient Absorption Spectroscopy.
Fabian Glaab, Johannes G Wehner, Christoph Lambert, Volker Engel

J Phys Chem A· July 2019

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On the calculation of time-dependent electron momenta within the Born-Oppenheimer approximation.
Thomas Schaupp, Volker Engel

J Chem Phys· April 2019

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A classical ride through a conical intersection.
Thomas Schaupp, Volker Engel

J Chem Phys· January 2019

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Mapping of exciton-exciton annihilation in MEH-PPV by time-resolved spectroscopy: experiment and microscopic theory.
Kilian Hader, Cristina Consani, Tobias Brixner, Volker Engel

Phys Chem Chem Phys· December 2017

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Communication: On the calculation of time-dependent electron flux within the Born-Oppenheimer approximation: A flux-flux reflection principle.
Julian Albert, Kilian Hader, Volker Engel

J Chem Phys· December 2017

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Geometrical Optimization Approach to Isomerization: Models and Limitations.
Bo Y Chang, Seokmin Shin, Volker Engel, Ignacio R Sola

J Phys Chem A· November 2017

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Time-resolved photoelectron spectroscopy of IR-driven electron dynamics in a charge transfer model system.
Mirjam Falge, Friedrich Georg Fröbel, Volker Engel, Stefanie Gräfe

Phys Chem Chem Phys· August 2017

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Coupled electron-nuclear quantum dynamics through and around a conical intersection.
Julian Albert, Kilian Hader, Volker Engel

J Chem Phys· August 2017

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