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_CONF612_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02551767; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF40_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49201603; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF43_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49026322; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF741_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02711040; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF721_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02756970; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF756_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02424416; Eh |
Results 2441-2446 of 2446 (Search time: 0.003 seconds).
Discover
Calculation type
- 2446 Single point