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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Oct-2022 | TS(A1_PP_1C-A2) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7565989; Eh | |||
 | 26-Oct-2022 | A1_1 | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5001.6774743; Eh | |||
 | 26-Oct-2022 | TS(A1-A2) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5001.629262; Eh | |||
 | 26-Oct-2022 | A1_PP_1C | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7895534; Eh | |||
 | 26-Oct-2022 | TS(A1_P_1B-A2_PP) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7584233; Eh | |||
 | 26-Oct-2022 | TSS(A1_PP_1D-A2) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7660104; Eh | |||
 | 26-Oct-2022 | TS(A1_P_1B-A2) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7582696; Eh | |||
 | 26-Oct-2022 | TS(A4A5)cis | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.831996; Eh | |||
 | 26-Oct-2022 | Rh-catalyst | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -4128.6342944; Eh | |||
 | 26-Oct-2022 | TSS(A3A4)yne_(intoRh-Csp2) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -6067.9382562; Eh |
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