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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-May-2019 | TS4 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point TS | RB3LYP | - | -2680.38598013; Eh | ||||
2-May-2019 | TS1noa | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point TS | RB3LYP | - | -2756.80455806; Eh |
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