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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Jun-2018 | /upload/Me_oDCB C_TS | dos Passos Gomes, Gabriel | Gaussian; 09; AM64L-G09RevC.01 | Geometry optimization TS | RM062X | - | -1227.26739340; Eh | |||
| 29-Jun-2018 | /upload/Me_oDCB A_TS | dos Passos Gomes, Gabriel | Gaussian; 09; AM64L-G09RevC.01 | Geometry optimization TS | RM062X | - | -1227.24904348; Eh | |||
 | 9-Nov-2022 | /model INT1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1218.70420486; Eh | |||
 | 9-Nov-2022 | /model TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1218.71931766; Eh | |||
 | 9-Nov-2022 | /model TS2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1218.70420486; Eh | |||
 | 9-Nov-2022 | /enone TS1a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1826.90332141; Eh | |||
 | 9-Nov-2022 | /enone TS2a | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1826.89583749; Eh | |||
 | 9-Nov-2022 | /H TS1b | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1674.31084116; Eh | |||
 | 9-Nov-2022 | /H TS2b | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1674.29807767; Eh | |||
| 2-Mar-2019 | Monoterpenes-TS(D-J)-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -390.848164221; Eh |
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