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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_lactone | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | GENECP | -4320.15502039; Eh | |||
 | 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 | /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 | /Davies_Me Davies_Me_fragmentation | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | GEN | -4356.02467828; 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_cis_lactone | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GENECP | -4547.78535246; Eh | |||
 | 20-Jul-2022 | /Davies_Ph Davies_Ph_fragmentation | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | GENECP | -4547.77588744; Eh | |||
 | 20-Jul-2022 | /Davies_Ph Davies_Ph_cis_TS2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UB3LYP | GENECP | -4547.72715221; Eh |
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