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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Sep-2017 | TSminor_Me | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UwB97XD | lanl2dz; 6-31+g(d) | -3947.49341775; Eh | ||||
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 | ||||
29-Sep-2017 | 9_Me | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UwB97XD | lanl2dz; 6-31+g(d) | -2528.74630347; Eh | ||||
29-Sep-2017 | TSmajor_Me | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UwB97XD | lanl2dz; 6-31+g(d) | -3947.49754039; Eh |
Results 11-16 of 16 (Search time: 0.002 seconds).