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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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_TA_VTS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UB3LYP | GENECP | -4547.70477871; 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_TA_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UB3LYP | GENECP | -4547.70477871; 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 | |||
 | 20-Jul-2022 | /triplet_state Bach_iPr_CA_TS1_triplet | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UB3LYP | GENECP | -4319.9902614; Eh |
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