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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_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 | |||
 | 20-Jul-2022 | /Davies_Ph Davies_Ph_CT_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UB3LYP | GENECP | -4547.71113927; 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 | /Davies_Ph Davies_Ph_CA_VTS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GENECP | -4547.70312870; Eh | |||
 | 20-Jul-2022 | /Davies_Ph Davies_Ph_CA_TS1 | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | GENECP | -4547.70286054; 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 |
Results 61-70 of 91 (Search time: 0.001 seconds).