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 | triflumizole_E_CONF146_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97487485; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF147_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97509324; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF124_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97873839; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF125_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97465598; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF76_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95546031; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF7_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95429148; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF45_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95705118; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF373_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95514211; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF360_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95533926; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF362_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95518910; Eh |
Results 121-130 of 4613 (Search time: 0.003 seconds).
Discover
Calculation type