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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-May-2019 | cat5_TS4synsiB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2715.71374401; Eh | ||||
2-May-2019 | cat5_TS4antireB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2715.72354807; Eh | ||||
2-May-2019 | cat9_TS4antireA | Besora, Maria | Gaussian; 09; AM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2601.48692006; Eh | ||||
2-May-2019 | cat9_TS4antireB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2601.48746361; Eh | ||||
2-May-2019 | cat4_TS4antireA | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2766.59152775; Eh | ||||
2-May-2019 | cat9_TS4synsiB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2601.48132812; Eh | ||||
2-May-2019 | cat4_TS4antireB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2766.58923183; Eh | ||||
2-May-2019 | cat9_TS4synsiA | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2601.47857926; Eh | ||||
2-May-2019 | cat5_TS4antireA | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2715.72448304; Eh | ||||
2-May-2019 | cat4_TS4synsiB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2766.58227054; Eh |
Results 1-10 of 27 (Search time: 0.001 seconds).