23 citations · 44 across the 9 of their papers we have counts for
3 papers · 1 filter
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…
Combining the Maximum Overlap Method with Multiwavelets for Core-Ionisation Energy Calculations
Niklas Göllmann, Matthew R. Ludwig, Peter Wind +2
We present a protocol for computing core-ionisation energies for molecules, which is essential for reproducing X-Ray photoelectron spectroscopy experiments. The electronic structur…
Probing Disorder in 2CzPN using Core and Valence States
Nathalie K. Fernando, Martina Stella, William Dawson +4
Molecules which exhibit thermally activated delayed fluorescence (TADF) show great promise for use in efficient, environmentally-friendly OLEDs, and thus the design of new TADF emi…