Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Oct-2022 | TSS(A1_PP_2A-A2 | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7667847; Eh | |||
 | 26-Oct-2022 | A3cis | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.8285155; Eh | |||
 | 26-Oct-2022 | Product-trans | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ | -1718.3713066; Eh | |||
 | 26-Oct-2022 | TS(A1_PP_2B-A2) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7452001; Eh | |||
 | 26-Oct-2022 | TSS(A1_P-A2) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7738939; Eh | |||
 | 26-Oct-2022 | A1_PP_2C | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7954413; Eh | |||
 | 26-Oct-2022 | TSS(A1_PP-A2) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.769998; Eh | |||
 | 26-Oct-2022 | A2 | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.8569837; Eh | |||
 | 26-Oct-2022 | TSS(A1_PP_2B-A2) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.7624293; Eh | |||
 | 26-Oct-2022 | TSS(A1_1-A2) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5001.6249281; Eh |
Results 31-40 of 68 (Search time: 0.001 seconds).
Discover
Program name
- 68 Gaussian
Calculation type