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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Jul-2022 | /Theozyme Theozyme_TS-8 | Soysal, Esra Nur | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 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-11-TS | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -856.406184714; 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-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-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-1-TS-DD-toluene | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -781.193197098; Eh | |||
 | 23-Apr-2024 | BioPostD1scanTS_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -586.281124456; Eh |
Results 41-50 of 66 (Search time: 0.002 seconds).