Auger–Meitner and x-ray absorption spectra of ethylene cation: insight into conical intersection dynamics

BN Cabral Tenorio, J Pedersen, M Barbatti… - The Journal of …, 2023 - ACS Publications
We present a theoretical investigation of the near-edge X-ray absorption fine structure and
the Auger–Meitner decay spectra of ethylene and its cation. Herein, we demonstrate that our …

Few-femtosecond electron transfer dynamics in photoionized donor–π–acceptor molecules

F Vismarra, F Fernández-Villoria, D Mocci… - Nature Chemistry, 2024 - nature.com
The exposure of molecules to attosecond extreme-ultraviolet (XUV) pulses offers a unique
opportunity to study the early stages of coupled electron–nuclear dynamics in which the role …

Dissociation and Isomerization Following Ionization of Ethylene: Insights from Nonadiabatic Dynamics Simulations

L Fransén, T Tran, S Nandi… - The Journal of Physical …, 2024 - ACS Publications
Photoionized and electronically excited ethylene C2H4+ can undergo H-loss, H2-loss, and
ethylene–ethylidene isomerization, where the latter entails a hydrogen migration. Recent …

Nonadiabatic Photodissociation and Dehydrogenation Dynamics of n-Butyl Bromide Following p-Rydberg Excitation

LF Heald, RS Gosman, CH Rotteger… - The Journal of …, 2023 - ACS Publications
Femtosecond time-resolved mass spectrometry, correlation mapping, and density functional
theory calculations are employed to reveal the mechanism of C═ C and C≡ C formation …

Sub-20-fs UV-XUV beamline for ultrafast molecular spectroscopy

A Crego, S Severino, L Mai, F Medeghini, F Vismarra… - Scientific Reports, 2024 - nature.com
We present an ultraviolet (UV)-extreme-ultraviolet (XUV) pump-probe beamline with
applications in ultrafast time-resolved photoelectron spectroscopy. The UV pump pulses …

Ultrafast Dissociation Dynamics of the Sensitive Explosive Ethylene Glycol Dinitrate

E Britt, HA López Peña, JM Shusterman… - The Journal of …, 2025 - ACS Publications
Ethylene glycol dinitrate (EGDN) is a nitrate ester explosive widely used in military ordnance
and missile systems. This study investigates the decomposition dynamics of the EGDN …

Coherent Excitation of the CH Stretching Vibrations in C2H4+: The Role of the Derivative Coupling Studied by the Quantum Ehrenfest Method

T Tran, GA Worth, MA Robb - Journal of Computational …, 2025 - Wiley Online Library
We report nonadiabatic dynamics computations on C2H4+ initiated on a coherent
superposition of the five lowest cationic states, employing the Quantum Ehrenfest method. In …

Research master thesis: Study of the isotope effect on the competition between H and H2 loss in ethylene cation using semi-classical molecular dynamics

J Hammoud - 2023 - matheo.uliege.be
The engineering of atto second and short femtosecond pulses opened the way to probe
ultrafast dynamics during the past 20 years. Being able to follow a mechanism on a sub or …

[PDF][PDF] Publication list-November 2024 288 publications in international peer reviewed journals, h Index: 50 (Google scholar), 10 000 citations. 288 V.-D. Nguyen, L …

F Remacle - tcp.ulg.ac.be
1 Françoise Remacle Publication list- November 2024 288 publications in international peer
reviewed journals, h Index : 50 (Goo Page 1 1 Françoise Remacle Publication list- November …

[PDF][PDF] Publication list-January 2024 283 publications in international peer reviewed journals, h Index: 49 (Google scholar), 9340 citations. 283 JR Hamilton, E …

F Remacle - tcp.ulg.ac.be
1 Françoise Remacle Publication list- January 2024 283 publications in international peer
reviewed journals, h Index : 49 (Goog Page 1 1 Françoise Remacle Publication list- January …