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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Feb-2017 | A_solvent | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -615.796231246; Eh | |||
 | 3-Feb-2017 | TS1-H2O_solvent | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -2045.23493578; Eh | |||
 | 3-Feb-2017 | E_solvent | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -2045.30787183; Eh | |||
 | 3-Feb-2017 | C_solvent | Fernández, Víctor | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM062X | - | -1352.98288875; Eh | |||
 | 3-Feb-2017 | A_gas | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -615.630458379; Eh |
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