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CO2 and SO2 Capture by Cryptophane-111 Porous Liquid: Insights from Molecular Dynamics Simulations and Computational Chemistry

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A computational study of the encapsulation of a gaseous mixture of CO2 and SO2 in a Type II porous liquid is performed under different conditions. The system is composed of cryptophane-111 molecules dispersed in dichloromethane, and it is described using class... ...