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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Apr-2017 | 1a | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31+g(d) | -1455.24832627; Eh | |||
 | 26-Apr-2017 | 3a | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31+g(d) | -946.185668584; Eh | |||
 | 26-Apr-2017 | 1 | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31+g(d) | -1355.30019457; Eh | |||
 | 26-Apr-2017 | ts_7a-8a | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | - | -1234.66895672; Eh | |||
 | 26-Apr-2017 | 2a | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | - | -1455.23831740; Eh | |||
 | 26-Apr-2017 | 3b | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31+g(d); LANL2DZ | -1462.91762053; Eh | |||
 | 26-Apr-2017 | ts_3a-4a | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31+g(d) | -946.177445572; Eh | |||
 | 26-Apr-2017 | ts_1b-2b | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31+g(d); LANL2DZ | -1971.96726912; Eh | |||
 | 26-Apr-2017 | 4b | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31+g(d); LANL2DZ | -1462.92720857; Eh | |||
 | 26-Apr-2017 | fsime2ph | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31+g(d) | -700.615866293; Eh |
Results 51-60 of 163 (Search time: 0.001 seconds).