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check out: Non-adiabatic origin of roaming OH dynamics
Our experimental studies are often complemented with theoretical modeling that helps visualize the dynamics. Here are simulations made in collaboration with Esti Livshits and the Roi Baer group
AIMD simulations help understand Ionization-induced proton-transfer dynamics in the singly ionized Formic acid dimer.
and the formation of H2O+ products via roaming OH dynamics that is initiated by non-adiabatic transitions from excited dications to the dication ground state
Check out movies of ionization-indeuced, symmetry-breaking, dynamics of the CO2 dimer.
Molecular Dynamics differences allow revealing the Absence of Triplets in Single-Photon Double Ionization of Methanol (JPC Lett 2020):
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