3 papers
physics.chem-ph2026
A Comprehensive Experimental and Theoretical Spectroscopic Study of Proteinogenic Amino Acids
Ann S. Y. Lu, Prajna Bhatt, Nathalie K. Fernando +2
Amino acids are essential building blocks of life, yet our understanding of their chemistry and electronic structure in the solid state remains limited. This is particularly import…
cond-mat.mtrl-sci2025
Simulation of Radiation Damage on [M(COD)Cl] using Density Functional Theory
Nathalie K. Fernando, Nayera Ahmed, Katherine Milton +3
Theoretical calculations of materials have in recent years shown promise in facilitating the analysis of convoluted experimental data. This is particularly invaluable in complex sy…
physics.chem-ph2025
Investigating Discontinuous X-ray Irradiation as a Damage Mitigation Strategy for [M(COD)Cl] Catalysts
Nathalie K. Fernando, Claire A. Murray, Amber L. Thompson +3
With the advent of ever more intense and focused X-ray sources, including in laboratories, at synchrotrons, and at X-ray free electron lasers, radiation-induced sample change and d…