Computational and Chemical Analysis of the Oxygen Atom Transfer Process of a Dioxo-Molybdenum Complex Incorporated into a Modified UiO-67 (Zr/Ti)
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In the present work, a combined theoretical-experimental approach was employed to elucidate the structure of a modified UiO-67 (Zr/Ti) MOF functionalized with MoO2Cl2 through a three-step process and to propose a detailed mechanism for the oxygen atom transfer... ...