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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 TS8_H-trans | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | GENECP | -1553.81952789; Eh | |||
 | 9-Jan-2024 | /model_system TS12_H-cis | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -1553.82776830; Eh | |||
 | 9-Jan-2024 | /model_system TS6_H-trans | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | GENECP | -1553.81923983; Eh | |||
 | 9-Jan-2024 | /model_system TS11_H-cis | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | GENECP | -1553.84514670; Eh | |||
 | 9-Jan-2024 | /model_system TS10_H-cis | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | GENECP | -1553.84055894; Eh | |||
 | 9-Jan-2024 | /model_system TS8_H-cis | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -1553.82342209; Eh | |||
 | 9-Jan-2024 | /Rh2(OAc)4_system TS5_Ph-trans-chair-out | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -1942.21898435; Eh | |||
 | 9-Jan-2024 | /Rh2(OAc)4_system TS4_Ph-trans-chair-out | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -1942.21246838; Eh | |||
 | 9-Jan-2024 | /Rh2(OAc)4_system TS5_Ph-trans-chair-in | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -1942.21839943; Eh | |||
 | 9-Jan-2024 | /Rh2(OAc)4_system TS4_Ph-trans-boat-out | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -1942.20642863; Eh |
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