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physics.chem-ph2024
Dissociation of hydrofluorocarbon molecules after electron impact in plasma
Dmitry V. Makhov, Gregory Armstrong, Hsiao-Han Chuang +6
The process of dissociation for two hydrofluorocarbon molecules in low triplet states excited by electron impact in plasma is investigated by ab initio Molecular Dynamics (AIMD). T…
physics.chem-ph2024
Ultrafast electron diffraction of photoexcited gas-phase cyclobutanone predicted by ab initio multiple cloning simulations
Dmitry V. Makhov, Adam Kirrander, Dmitrii V. Shalashilin
We present the result of our calculations of ultrafast electron diffraction (UED) for cyclobutanone excited into electronic state, which are based on the non-adiabatic dynami…