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Applied Adhesion Science
Figure 6 | Applied Adhesion Science

Figure 6

From: Molecular simulation on carbon dioxide fixation routes towards synthesis of precursors for innovative urethanes

Figure 6

Integral of the RDF for the pairs formed by the C atom in a CO 2 molecule and the O atom from the opened epoxide ring for system CS2-EC with and without considering catalyst. Dashed line is the original CS2-EC with catalyst. Full line is the CS2-EC without the presence of catalyst molecules. The atoms considered in the pairs for which the integral of the RDF is taken are illustrated in the inset sketch.

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