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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Jan-2024 | /model_system 3_H-cis | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | GENECP | -1553.81237281; Eh | |||
 | 9-Jan-2024 | /Rh2(s-dosp)4_system dosp_Rhcarbene_abbb_trans | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GENECP | -5515.66878098; Eh | |||
 | 9-Jan-2024 | /Rh2(s-dosp)4_system dosp_Rhcarbene_aabb2_trans | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GENECP | -5515.68589488; Eh | |||
 | 9-Jan-2024 | /Rh2(s-dosp)4_system dosp_Rhcarbene_aabb2_cis | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GENECP | -5515.68714384; Eh | |||
 | 9-Jan-2024 | /Rh2(s-dosp)4_system dosp_Rhcarbene_abbb_cis | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GENECP | -5515.68209050; Eh |
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- 42 C-H activation
- 42 Rhodium
- 32 C-C activation
- 10 Carbenes
- 10 Lactones