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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Oct-2022 | A5trans | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.9472365; Eh | |||
 | 26-Oct-2022 | TSS(A1_P_1B-A2_PP) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7511835; Eh | |||
 | 26-Oct-2022 | TSS(A3A4)trans_(intoRh-Csp2) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7940608; Eh | |||
 | 26-Oct-2022 | Product-cis | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ | -1718.3710176; Eh | |||
 | 26-Oct-2022 | TS(A4A5)trans | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.8423786; Eh | |||
 | 26-Oct-2022 | A1_PP_1B | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7951951; Eh | |||
 | 26-Oct-2022 | TSS(A1-A2_I) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5001.6429072; Eh | |||
 | 26-Oct-2022 | TSS(A1_P-A2_PP) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7652605; Eh | |||
 | 26-Oct-2022 | TS(A1_PP_1D-A2) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7458879; Eh | |||
 | 26-Oct-2022 | TSS(A3A4)yne_(intoRh-Csp3) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -6067.9270123; Eh |
Results 1-10 of 78 (Search time: 0.0 seconds).