Chemical Structure from Scientific Research
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Snapshots of initial reactants, intermediate species and final products. Both the tracking plot and the snapshots confirm that ANI-1xnr predicts qualitatively reasonable reactive chemistry for this system. However, ANI-1xnr is markedly more reactive than the application-specific MLIP in the literature 24 .
#Chemical Structure#Snapshots#Reactants#Intermediate Species#Products#Reactive Chemistry#ANI-1xnr#MLIP
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