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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Jul-2022 | /Bach_iPr_system Bach_iPr_cis_TS2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UB3LYP | GENECP | -4320.08731113; Eh | |||
 | 20-Jul-2022 | /Bach_iPr_system Bach_iPr_SM | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | GENECP | -1760.04747621; Eh | |||
 | 20-Jul-2022 | /Bach_iPr_system Bach_iPr_trans_TS2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | GENECP | -4320.09035170; Eh | |||
 | 20-Jul-2022 | /Bach_eth_system Bach_eth_cis_TS2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -4280.76862866; Eh | |||
 | 20-Jul-2022 | /Bach_eth_system Bach_eth_trans_TS2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -4280.77041309; Eh | |||
 | 20-Jul-2022 | /Davies_Me Davies_Me_trans_TS2 | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | GEN | -4355.98072568; Eh | |||
 | 20-Jul-2022 | /Davies_Me Davies_Me_cis_TS2 | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | GEN | -4355.97960840; Eh | |||
 | 20-Jul-2022 | /Davies_Ph Davies_Ph_TT_VTS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UB3LYP | GENECP | -4547.71836310; Eh | |||
 | 20-Jul-2022 | /Davies_Ph Davies_Ph_trans_TS2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UB3LYP | GENECP | -4547.72387225; Eh | |||
 | 20-Jul-2022 | /Davies_Ph Davies_Ph_TT_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UB3LYP | GENECP | -4547.71836310; Eh |
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