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. |
---|---|---|---|---|---|---|---|---|---|---|---|
20-Sep-2021 | TS_C2B | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVP | -1087.40637505; Eh | ||||
20-Sep-2021 | TS_C2 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVP | -1087.40457411; Eh | ||||
20-Sep-2021 | S1_TS_C4O | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | DEF2TZVP | - | ||||
20-Sep-2021 | T1_TS_NH | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | DEF2TZVP | - | ||||
20-Sep-2021 | TS_C4 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevA.03 | Single point TS | UwB97XD | DEF2TZVP | -1087.39754686; Eh | ||||
20-Sep-2021 | S1_TS_C2O | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | DEF2TZVP | - | ||||
20-Sep-2021 | S1_INT_OOH | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | DEF2TZVP | - | ||||
20-Sep-2021 | T1_INT_OOH | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | DEF2TZVP | - | ||||
20-Sep-2021 | 5c | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | DEF2TZVP | - | ||||
20-Sep-2021 | 5b_prime | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVP | -1087.41939444; Eh |
Results 31-40 of 46 (Search time: 0.001 seconds).