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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Sep-2017 | 6major_Me | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UwB97XD | lanl2dz; 6-31+g(d) | -3947.55722534; Eh | ||||
29-Sep-2017 | 6minor_Me | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UwB97XD | lanl2dz; 6-31+g(d) | -3947.55526035; Eh | ||||
29-Sep-2017 | 8_Me | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UwB97XD | lanl2dz; 6-31+g(d) | -2528.82745763; Eh |
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