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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
3-Aug-2018 | rev_TS_Pcat | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM062X | - | -835.798987518; Eh | ||||
3-Aug-2018 | rev_TS_gua | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM062X | - | -608.119464565; Eh |
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