@article{paperid:1087790, author = {Vakili, Mohamad and Kheirabadi, Ramesh}, title = {Insight into the computational modeling and reaction mechanism of the catalytic cycle of benzyl-dichalcogenide compounds in capture and release of carbon dioxide}, journal = {Molecular Catalysis}, year = {2022}, volume = {517}, number = {1}, month = {January}, issn = {2468-8231}, pages = {112045--112054}, numpages = {9}, keywords = {Capture and release of carbon dioxide; Density of states (DOS); Density functional theory (DFT); Reduction potentials UltraViolet-Visible (UV–vis)}, }