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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Jul-2022 | /Davies_Me Davies_Me_TT_VTS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GENECP | -4355.96659733; Eh | |||
 | 20-Jul-2022 | /Davies_Me Davies_Me_TT_TS1 | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | -4355.96656123; Eh | |||
 | 20-Jul-2022 | /fDavies_Ph fDavies_Ph_fragmentation | Guo, Wentao | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | GENECP | -14577.9156360; Eh | |||
 | 20-Jul-2022 | /fDavies_Ph fDavies_Ph_cis_lactone | Guo, Wentao | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | GENECP | -14577.9435546; Eh | |||
 | 20-Jul-2022 | /fDavies_Ph fDavies_Ph_trans_lactone | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | GENECP | -14577.9342630; Eh | |||
 | 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_CA_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GENECP | -14577.8586183; 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_TA_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RB3LYP | GENECP | -14577.8430934; Eh |
Results 41-50 of 57 (Search time: 0.001 seconds).