Webb10 okt. 2024 · Contribute to PatrickYLi/2024CS2 development by creating an account on GitHub. WebbThe reactions of OH with CS2, OCS, and 3SO and of 3O2 with CS2, SCSOH, and HOSO have been studied by optimizing minima and transition states with B3LYP/6-31+G(d) and carrying out higher-level ab initio calculations on fixed geometries. The combined calculations provide valuable insight into the mechanism for the atmospheric oxidation …
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