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Published May 15, 2024 | Version v1
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Unraveling the interaction between singlet state atomic oxygen and water: toward the formation of oxywater and hydrogen peroxide

Creators

  • 1. ROR icon Eindhoven University of Technology

Description

We provide example input files to perform simulations of our article "Unraveling the interaction between singlet state atomic oxygen O(1D) and water: toward the formation of oxywater and hydrogen peroxide". 

Files

Potential-O-O-distance_oxywater-fixed-H2O-geometry.txt

Files (1.6 kB)