ArticleStructural dynamics (Melville, N.Y.)2021
Ultrafast time-resolved x-ray absorption spectroscopy of ionized urea and its dimer through
Article in Structural dynamics (Melville, N.Y.), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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3 citing papers in PubMed, 8 citations in OpenAlex.
- Uronium from X-ray-Desorbed Urea Enables Sustainable Ultrasensitive Detection of Amines and Semivolatiles.Analytical chemistry · 2025Article
- Article
- Theoretical Description of Attosecond X-ray Absorption Spectroscopy of Frenkel Exciton Dynamics.Molecules (Basel, Switzerland) · 2023Article
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5 authors at 1 institution in 1 country.
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Abstract
Investigating the early dynamics of chemical systems following ionization is essential for our understanding of radiation damage. However, experimental as well as theoretical investigations are very challenging due to the complex nature of these processes. Time-resolved x-ray absorption spectroscopy on a femtosecond timescale, in combination with appropriate simulations, is able to provide crucial insights into the ultrafast processes that occur upon ionization due to its element-specific probing nature. In this theoretical study, we investigate the ultrafast dynamics of valence-ionized states of urea and its dimer employing Tully's fewest switches surface hopping approach using Koopmans' theorem to describe the ionized system. We demonstrate that following valence ionization through a pump pulse, the time-resolved x-ray absorption spectra at the carbon, nitrogen, and oxygen
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