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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
11-Mar-2018 | /Fragments-Freq H4C4_q0_m3-8 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.628002559; Eh | ||||
11-Mar-2018 | /Fragments-Freq HC_q0_m2-1 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -38.4941027894; Eh |
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