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-Jan-2023 | tiadinil_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1523.12276986; Eh | |||
 | 26-Jan-2023 | tiadinil_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1523.12262714; Eh | |||
 | 26-Jan-2023 | acibenzolarS-methyl_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1289.62308008; Eh | |||
 | 26-Jan-2023 | acibenzolarS-methyl_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1289.61212736; Eh | |||
 | 26-Jan-2023 | probenazole_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1065.11844266; Eh | |||
 | 26-Jan-2023 | probenazole_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1065.11883884; Eh | |||
 | 26-Jan-2023 | probenazole_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1065.13738170; Eh | |||
 | 26-Jan-2023 | probenazole_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1065.13606066; Eh | |||
 | 26-Jan-2023 | probenazole_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1065.13490728; Eh | |||
 | 26-Jan-2023 | tiadinil_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1523.14868331; Eh |
Results 11-20 of 56 (Search time: 0.0 seconds).
Discover
Calculation type
- 56 Single point