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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Jul-2022 | /fDavies_Ph fDavies_Ph_CT_TS2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | GENECP | -14577.8788407; Eh | |||
 | 20-Jul-2022 | /fDavies_Ph fDavies_Ph_CT_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GENECP | -14577.8685222; Eh | |||
 | 20-Jul-2022 | /fDavies_Ph fDavies_Ph_TT_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RB3LYP | GENECP | -14577.8622587; Eh | |||
 | 20-Jul-2022 | /fDavies_Ph fDavies_Ph_TT_TS2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | GENECP | -14577.8843920; Eh | |||
 | 20-Jul-2022 | /fDavies_Ph fDavies_Ph_TA_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RB3LYP | GENECP | -14577.8430934; Eh | |||
 | 20-Jul-2022 | /fDavies_Ph fDavies_Ph_SM | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GENECP | -14577.8882695; Eh | |||
 | 20-Jul-2022 | /TA_TT_energy_study Bach_iPr_TT_TS1_CBr3_log | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | GENECP | -9500.96821431; Eh | |||
 | 20-Jul-2022 | /TA_TT_energy_study Bach_iPr_TA_TS1_SiH3 | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | GENECP | -2039.96069488; Eh | |||
 | 20-Jul-2022 | /TA_TT_energy_study Bach_iPr_TA_TS1_CBr3 | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | GENECP | -9500.95671670; Eh | |||
 | 20-Jul-2022 | /TA_TT_energy_study Bach_iPr_TT_TS1_Cl | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -2208.86302262; Eh |
Results 71-80 of 91 (Search time: 0.001 seconds).