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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_trans_lactone | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | GENECP | -4320.15938303; Eh | |||
 | 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_eth_system Bach_eth_cis_lactone | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | GENECP | -4280.84064246; Eh | |||
 | 20-Jul-2022 | /Bach_eth_system Bach_eth_fragmentation | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) LANL2DZ GENECP | -4280.81033971; Eh | |||
 | 20-Jul-2022 | /Bach_eth_system Bach_eth_trans_lactone | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GENECP | -4280.84268342; Eh | |||
 | 20-Jul-2022 | /Bach_eth_system Bach_eth_SM | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | GENECP | -4280.77919553; Eh | |||
 | 20-Jul-2022 | /Davies_Me Davies_Me_trans_lactone | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | GEN | -4356.05401355; Eh | |||
 | 20-Jul-2022 | /Davies_Me Davies_Me_cis_lactone | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | GEN | -4356.04632807; Eh | |||
 | 20-Jul-2022 | /Davies_Me Davies_Me_fragmentation | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | GEN | -4356.02467828; Eh |
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