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-Oct-2022 | amicarbazone_CONF11_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.82061230; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.82600937; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF5_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.82602587; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.84347146; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF11_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.84231191; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF7_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.84386351; Eh | |||
 | 10-Oct-2022 | bromacil_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.06726961; Eh | |||
 | 10-Oct-2022 | bromacil_CONF5_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.06642007; Eh | |||
 | 10-Oct-2022 | bromacil_CONF4_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.06696204; Eh | |||
 | 10-Oct-2022 | bromacil_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.08850305; Eh |
Results 1-10 of 365 (Search time: 0.001 seconds).
Discover
Program name
- 365 Orca