CuCl Complexation in the Vapor Phase: Insights from Ab Initio Molecular Dynamics Simulations

<div>Dynamic hydration number of the CuCl<sup>0</sup> complex (within 5 Å of Cu) as a function of simulation time at different values of density (the density values are indicated at the top right in each diagram).</div>

Geofluids

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Figure 3

Figure 3: CuCl Complexation in the Vapor Phase: Insights from Ab Initio Molecular Dynamics Simulations 