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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Oct-2019 | /OPTFREQ TS_A1A2 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -2368.75661508; Eh | |||
 | 3-Oct-2019 | /OPTFREQ TS_C2C3P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | - | -3240.49682731; Eh |
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