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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 | /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 | ||||
20-Jul-2022 | /Davies_Me Davies_Me_SM | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | GEN | -4355.98891911; Eh | ||||
20-Jul-2022 | /Davies_Ph Davies_Ph_trans_lactone | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GENECP | -4547.78603887; 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_SM | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | GENECP | -4547.73206337; 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 |
Results 1-10 of 10 (Search time: 0.001 seconds).