Ab-initio classical trajectory study the dissociation of ClN3: The pathway lead to cyclic-N3
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DOI: 10.1016/j.cplett.2018.08.063
Abstract: Abstract The dissociation dynamics of ClN3 have been studied by ab-initio classical trajectory and static potential energy surface calculations. The energies and structures of molecular isomers and transition states are obtained from optimization. Three isomers… read more here.
Keywords: study dissociation; dissociation; initio classical; classical trajectory ... See more keywords