@article{paperid:1089867, author = {, and Vakili, Mohamad and Razieh Morad and Malik Maaza}, title = {Computational modeling of the catalytic cycle of the di-chalcogenide compounds in the capture and release of carbon dioxide: effect of temperature and substitution on the catalytic activity}, journal = {Journal of the Iranian Chemical Society}, year = {2022}, volume = {19}, number = {9}, month = {May}, issn = {1735-207X}, pages = {3963--3979}, numpages = {16}, keywords = {Capture and release of carbon dioxide · Organic di-chalcogenide compounds · Density functional theory · Reduction potentials · Ultraviolet–visible (UV–vis)}, }