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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Aug-2023 | /3a_Me 3a_me_TS2_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1593.85158439; Eh | |||
 | 12-Aug-2023 | /3a_Me 3a_me_TS2_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1593.86740111; Eh | |||
 | 12-Aug-2023 | /3a_Me 3a_me_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1593.89644731; Eh | |||
 | 9-Feb-2023 | /enamine TS4c_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1885.65916512; Eh | |||
 | 9-Feb-2023 | /H TS1b | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1674.34433399; Eh | |||
 | 9-Feb-2023 | /H TS2b | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1674.34433399; Eh | |||
 | 9-Feb-2023 | /Hammett TS_Me | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1944.62042707; Eh | |||
 | 9-Feb-2023 | /Hammett TS_H | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1905.32221639; Eh | |||
 | 12-Aug-2023 | /1t 1t_TS2_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1615.12074482; Eh | |||
 | 12-Aug-2023 | /1t 1t_TS2_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1615.14150758; Eh |
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