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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_fragmentation | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | GENECP | -4320.13044882; Eh | |||
 | 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 | /triplet_state Bach_iPr_CT_TS1_triplet | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UB3LYP | GENECP | -4320.0206186; Eh | |||
 | 20-Jul-2022 | /triplet_state Bach_iPr_TA_TS1_triplet | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UB3LYP | GENECP | -4320.0069819; Eh | |||
 | 20-Jul-2022 | /Bach_iPr_system Bach_iPr_CT_VTS1 | Guo, Wentao | Gaussian; 16; AS64L-G16RevC.01 | Single point Structure | RB3LYP | 6-31G(D) LANL2DZ GENECP | -4320.07227433; 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_iPr_system Bach_iPr_CA_VTS1 | Guo, Wentao | Gaussian; 16; AS64L-G16RevC.01 | Single point Structure | RB3LYP | GENECP | -4320.06132602; Eh | |||
 | 20-Jul-2022 | /Bach_iPr_system Bach_iPr_TT_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RB3LYP | GENECP | -4320.07636395; Eh | |||
 | 20-Jul-2022 | /Bach_iPr_system Bach_iPr_TA_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | GENECP | -4320.06430740; Eh |
Results 11-20 of 91 (Search time: 0.001 seconds).