Quantum Molecular Charge-Transfer Model for Multistep Auger–Meitner Decay Cascade Dynamics

The fragmentation of molecular cations following inner-shell decay processes in molecules containing heavy elements underpins the X-ray damage effects observed in X-ray scattering measurements of biological and chemical materials, as well as in medical applications involving Auger electron-emitting...

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Veröffentlicht in:	Journal of chemical theory and computation 2024-10, Vol.20 (20), p.8782-8794
Hauptverfasser:	Fouda, Adam E. A., Southworth, Stephen H., Ho, Phay J.
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Atomic structure Biological activity Biological effects Charge transfer Chemical bonds Chemical damage Decay Dynamics Electron transfer Electronic structure Fragmentation Heavy elements Ion pairs Medical materials Molecular dynamics Molecular structure Potential energy Radioisotopes X-ray scattering
Online-Zugang:	Volltext
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