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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pefurazoate_CONF421_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99770571; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF42_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99538379; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF445_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99725595; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF447_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99724118; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF44_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99659068; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF452_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99720761; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF45_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99777042; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF49_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99760053; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF487_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99986244; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF503_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99733381; Eh |
Results 3851-3860 of 4613 (Search time: 0.002 seconds).
Discover
Calculation type