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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Sep-2016 | /Copper ITS1 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31g(d); lanl2dz | -1854.82442233; Eh | |||
 | 26-Sep-2016 | /Gold ATS1_ | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31g(d); lanl2dz | -1793.92089820; Eh | |||
 | 26-Sep-2016 | /Gold ATS2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31g(d); lanl2dz | -1793.93364135; Eh | |||
 | 26-Sep-2016 | /Silver ITS1 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31g(d); lanl2dz | -1804.20957200; Eh | |||
 | 26-Sep-2016 | /Copper ATS2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31g(d); lanl2dz | -1854.84661766; Eh | |||
 | 26-Apr-2017 | ts_1a-2a | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31+g(d) | -1455.23598411; Eh | |||
 | 26-Apr-2017 | ts_8b-9b | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31+g(d); LANL2DZ | -2268.14157137; Eh | |||
 | 26-Apr-2017 | ts_3b-4b | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31+g(d); LANL2DZ | -1462.91078359; Eh | |||
 | 26-Apr-2017 | ts_5b-6b | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31+g(d); LANL2DZ | -1651.41234364; Eh | |||
 | 26-Apr-2017 | ts_5a-6a | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31+g(d) | -1134.67898759; Eh |
Results 21-30 of 90 (Search time: 0.001 seconds).