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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_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_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_SM | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GENECP | -14577.8882695; Eh | |||
 | 20-Jul-2022 | /triplet_state Bach_iPr_CA_TS1_triplet | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UB3LYP | GENECP | -4319.9902614; Eh | |||
 | 9-Jan-2024 | /model_system TS4_H-trans-boat-in | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | -1553.80212171; Eh | |||
 | 9-Jan-2024 | /model_system IM_H-trans-chair-in-1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GENECP | -1553.81377778; Eh |
Results 21-29 of 29 (Search time: 0.001 seconds).
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Subject
- 27 Carbenes
- 23 Lactones
- 2 C-C activation