30 citations · 50 across the 3 of their papers we have counts for
3 papers
Core-Excited States of Linear and Bent Uranyl Complexes: Insights from High-Energy Resolution X-ray Spectroscopy and Relativistic Quantum Chemistry
Wilken Aldair Misael, Lucia Amidani, Juliane März +4
Advanced X-ray spectroscopic techniques are widely recognized as state-of-the-art tools for probing the electronic structure, bonding, and chemical environments of the heaviest ele…
A Topological Data Analysis Perspective on Non-Covalent Interactions in Relativistic Calculations
Małgorzata Olejniczak, André Severo Pereira Gomes, Julien Tierny
Topological Data Analysis (TDA) is a powerful mathematical theory, largely unexplored in theoretical chemistry. In this work we demonstrate how TDA provides new insights into topol…
Accurate Predictions of Volatile Plutonium Thermodynamic Properties
Sophie Kervazo, Florent Réal, François Virot +2
The ability to predict the nature and amounts of plutonium emissions in industrial accidents, such as in solvent fires at PUREX nuclear reprocessing facilities, is a key concern of…