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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Aug-2018 | rev_TS_Pcat | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM062X | - | -835.798987518; Eh | |||
| 3-Aug-2018 | rev_TS_gua | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM062X | - | -608.119464565; Eh | |||
 | 28-Mar-2024 | TS3 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X | 6-31G(D,P) | -815.080408078; Eh | |||
 | 28-Mar-2024 | TS5 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X | 6-31G(D,P) | -815.054706022; Eh | |||
 | 28-Mar-2024 | TS4 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X | 6-31G(D,P) | -815.068437805; Eh | |||
 | 28-Mar-2024 | TS2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X | 6-31G(D,P) | -815.093113887; Eh | |||
 | 28-Mar-2024 | TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X | 6-31G(D,P) | -772.392133399; Eh |
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