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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-trans-boat-out | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -1942.21052474; Eh | |||
 | 9-Jan-2024 | /Rh2(OAc)4_system Rh2(OAc)4_sol | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) LANL2DZ GENECP | -1133.16830579; 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(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_aabb | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GENECP | -4940.05145099; Eh | |||
 | 9-Jan-2024 | /model_system IM_H-trans-chair-in-2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | GENECP | -1553.82026895; Eh | |||
 | 9-Jan-2024 | /model_system IM_H-cis-chair-in | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | GENECP | -1553.82375674; Eh | |||
 | 9-Jan-2024 | /model_system TS11_H-trans | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -1553.84207375; Eh | |||
 | 9-Jan-2024 | /model_system TS10_H-trans | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | GENECP | -1553.83786435; Eh | |||
 | 9-Jan-2024 | /model_system TS12_H-trans_ | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -1553.82740607; Eh |
Results 31-40 of 92 (Search time: 0.001 seconds).