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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 TS6_H-cis | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -1553.82249047; 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 | /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 TS4_Ph-trans-boat-in | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -1942.20613666; 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 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 | |||
 | 9-Jan-2024 | /model_system TS1_H | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-31G(D) | -454.024971717; Eh | |||
 | 9-Jan-2024 | /model_system TS3_H | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | GENECP | -1320.35202621; Eh | |||
 | 9-Jan-2024 | /model_system TS7_H-trans | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -1553.81900703; Eh |
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