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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2024 | structure-1-TS-cope-toluene | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -781.202953032; Eh | |||
| 26-Jan-2024 | structure-10-TS-II | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -781.224228886; Eh | |||
| 26-Jan-2024 | structure-TS-2B | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -781.187943759; Eh | |||
| 26-Jan-2024 | structure-10-TS-I | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -781.229199372; Eh | |||
| 26-Jan-2024 | structure-1-TS-UD-toluene | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -781.189482181; Eh | |||
| 26-Jan-2024 | structure-TS-2C | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -781.203250034; Eh | |||
| 26-Jan-2024 | structure-1-TS-DD-toluene | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -781.193197098; Eh | |||
| 26-Jan-2024 | structure-11-TS | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -856.406184714; Eh |
Results 1-8 of 8 (Search time: 0.001 seconds).