Abstract
The reactive channel (dissociative of the molecule on the cluster) of the D2 + Ni14 collision system is studied via quasi-classical molecular dynamics (MD) computer simulations. This is analysed as functions of the initial rovibrational molecular state and collision energy. The Ni14 cluster is at room temperature. The geometry of the cluster is obtained by embedded-atom (EA) model potential, and the interaction between D2 and Ni14 is modelled by LEPS (Landon-Eyring-Polanyi-Sato) potential surface.
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Özçelik, S., DurmuŞ, P. & Güvenç, Z.B. Molecule-cluster collisions: reaction of D2 with Ni14 . ARI 51, 20–23 (1998). https://doi.org/10.1007/s007770050026
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DOI: https://doi.org/10.1007/s007770050026