Fig. 2

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Interaction energy along R of the C3 + H2 complex. Panel A: energies computed using the four-dimensional PES (solid lines) and from ab initio calculations (points) at several angular configuration (θ1, θ2, φ) of C3 and H2 that are notincluded in the grid used for the fit. Panel B: energies computed from the PES (solid lines) and analytical multipolar expansion (dashed line) at several angular configuration.
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