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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
19-Nov-2018 | /SR_1_to_RSR_1_Semiempirical SR-1toRSR-2_DFTB3_SR-1reactant | Van der Kamp, Marc; Serapian, Stefano | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RDFTB | - | -85.1515789769; Eh |
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