Spin Coupling Effect on Geometry-Dependent X-ray Absorption of Diradicals

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 predict geometry dependent carbon K-edge signals involving transitions from core orbitals to both singly and unoccupied molec...

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Hauptverfasser:	Garner, Scott M, Haugen, Eric A, Leone, Stephen R, Neuscamman, Eric
Format:	Artikel
Sprache:	eng
Schlagworte:	Physics - Chemical Physics
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