66 citations · 202 across the 9 of their papers we have counts for
Showing physics.chem-phShow all
2 papers · 1 filter
physics.chem-ph2021★ 6 cited
A comparison of partial atomic charges for electronically excited states
Ryan J. MacDonell, Serguei Patchkovskii, Michael S. Schuurman
Partial atomic charges are a useful and intuitive concept for understanding molecular properties and chemical reaction mechanisms, showing how changes in molecular geometry can aff…
physics.chem-ph2021★ 8 cited
Resolving Competing Conical Intersection Pathways: Time-Resolved X-ray Absorption Spectroscopy of trans-1,3-Butadiene
Issaka Seidu, Simon P. Neville, Ryan J. MacDonell +1
Time-resolved X-ray absorption spectroscopy is emerging as a uniquely powerful tool to probe coupled electronic-nuclear dynamics in photo-excited molecules. Theoretical studies to…