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physics.chem-ph2023★ 1 cited
Spin Coupling Effect on Geometry-Dependent X-ray Absorption of Diradicals
Scott M. Garner, Eric A. Haugen, Stephen R. Leone +1
We theoretically investigate the influence of diradical electron spin coupling on the time-resolved X-ray absorption spectra of the photochemical ring opening of furanone. We predi…
physics.chem-ph2021★ 18 cited
Theoretical analysis of the role of complex transition dipole phase in XUV transient-absorption probing of charge migration
Yuki Kobayashi, Daniel M. Neumark, Stephen R. Leone
We theoretically investigate the role of complex dipole phase in the attosecond probing of charge migration. The iodobromoacetylene ion (ICCBr) is considered as an example, in…