A computational study using GCMC simulations were reported to study the adsorption of CO2 and H2O using the Zinc Triazolate-based Framework (ZTF) . Data analysis reveals that the interactions between ZTF and CO2 occur via two sites; Lewis acid-Lewis base interactions and hydrogen bonding, together with apparent electrostatic interactions . In situ Raman investigation was reported to study the interactions of ZIFs with CO2 under pressure (0-10 bar)