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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_gas | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -615.630458379; Eh | |||
 | 3-Feb-2017 | E_gas | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | ONIOM; M062X; UFF | - | -983.345688212; Eh | |||
 | 3-Feb-2017 | TS3_gas_ | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | ONIOM; M062X; UFF | - | -983.303119139; Eh | |||
 | 3-Feb-2017 | F_gas | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | ONIOM; M062X; UFF | - | -983.330405137; Eh |
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