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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
18-Mar-2022 | TS-CO2RR-TEOAassisted | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | Single point TS | UwB97XD | LANL2DZ 6-31G(D,P) GENECP | -2078.87856190; Eh |
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