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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Oct-2022 | TSS(A3A4)cis_(intoRh-Csp2) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.8216916; Eh | |||
 | 26-Oct-2022 | TS(A1_P-A2_PP) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7659132; Eh | |||
 | 26-Oct-2022 | TSS(A1_PP_1C-A2) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7565989; Eh | |||
 | 26-Oct-2022 | TS(A1_PP_1B-A2) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7520154; Eh | |||
 | 26-Oct-2022 | A1_PP_2A | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7887964; Eh | |||
 | 26-Oct-2022 | Product-trans | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ | -1718.3713066; Eh |
Results 141-146 of 146 (Search time: 0.0 seconds).
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Subject
- 46 biradical
- 46 Cycloaddition
- 46 Diels–Alder reaction
- 46 Rhodium
- 46 Spiro compounds
- 46 stepwise
Program name
- 146 Gaussian
Calculation type