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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 13-Mar-2025 | epyrifenacil_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.30953470; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31164368; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31157763; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31049200; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31857644; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31888003; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF74_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31854418; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF92_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31897099; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF73_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31867154; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31685770; Eh |
Results 1661-1670 of 3134 (Search time: 0.002 seconds).
Discover
Calculation type