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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Jan-2024 | /Rh2(OAc)4_system TS5_Ph-cis-chair-out | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -1942.21667401; Eh | ||||
9-Jan-2024 | /Rh2(OAc)4_system 1_Ph-trans | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) | -685.110821505; Eh | ||||
9-Jan-2024 | /Rh2(OAc)4_system 1_Ph-cis | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) | -685.112669755; Eh | ||||
9-Jan-2024 | /Rh2(OAc)4_system TS1_Ph | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | 6-31G(D) | -685.102639042; Eh | ||||
9-Jan-2024 | /model_system ketene_acetal_H-trans | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | GENECP | -1553.83693742; Eh | ||||
9-Jan-2024 | /model_system CH_star_H | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | GENECP | -1553.87929269; 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_aabb_trans | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GENECP | -5515.68755530; 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_aabb_cis | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GENECP | -5515.69702283; Eh |
Results 141-150 of 161 (Search time: 0.001 seconds).
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Subject
- 149 Rhodium
- 92 C-C activation
- 57 Carbenes
- 57 Lactones
- 12 Olefination
- 12 Palladium
Method
- 12 RMN15