Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
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_aabb_cis | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GENECP | -5515.69702283; Eh | ||||
9-Jan-2024 | /Rh2(OAc)4_system 13_cyclodiene_sol | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) | -233.427853728; Eh | ||||
9-Jan-2024 | /Rh2(s-dosp)4_system dosp_cat_abab | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GENECP | -4940.04758509; Eh | ||||
9-Jan-2024 | /Rh2(s-dosp)4_system dosp_cat_aaab | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GENECP | -4940.05880149; Eh | ||||
9-Jan-2024 | /Rh2(s-dosp)4_system dosp_cat_aabb | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GENECP | -4940.05145099; Eh | ||||
9-Jan-2024 | /model_system TS4_H-cis-chair-in | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -1553.80849710; Eh | ||||
9-Jan-2024 | /model_system rh2hco4_gas | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GENECP | -975.834325994; Eh | ||||
9-Jan-2024 | /model_system TS2_H-trans | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | GENECP | -1429.87239645; Eh | ||||
9-Jan-2024 | /model_system TS2_H-cis | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | GENECP | -1429.87167957; Eh |
Results 501-510 of 754 (Search time: 0.001 seconds).
Discover
Subject
- 470 Palladium
- 334 Olefination
- 185 Arynes
- 185 DFT
- 185 Homogeneous catalysis
- 175 Rhodium
- 138 C-C activation
- 83 Carbenes
- 79 Lactones
- 49 Catellani Reaction
- next >