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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-May-2018 | 1_R_TD | Fernández, Víctor | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RTD-M06-FC | lanl2dz; 6-31+g(d) | -1011.53613937; Eh |
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