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A theoretical study of hydrotreatment of the oxolane molecule without a catalyst and in the presence of a catalyst is performed by numerical DFT/B3LYP methods with 6-31G(d) and LanL2DZ basis sets. The catalyst used in this study is tungsten disulfide (WS2) which is modeled by a three anionic vacancy site WS3H+3. Hydrogenolysis of the oxolane molecule under hydrogen pressure is simulated through two...