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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_eth_system Bach_eth_TA_TS1 | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | -4280.74571670; Eh | |||
 | 20-Jul-2022 | /Davies_Me Davies_Me_TA_VTS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(D) LANL2DZ GENECP | -4355.95519365; Eh | |||
 | 20-Jul-2022 | /Davies_Me Davies_Me_CT_TS1 | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | -4355.96350868; Eh | |||
 | 20-Jul-2022 | /Davies_Me Davies_Me_CT_VTS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GENECP | -4355.96355296; Eh | |||
 | 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 | /Davies_Ph Davies_Ph_CT_VTS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GENECP | -4547.71118061; 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_CT_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GENECP | -14577.8685222; Eh | |||
 | 20-Jul-2022 | /fDavies_Ph fDavies_Ph_SM | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GENECP | -14577.8882695; Eh |
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