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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2021 | simeconazole_CONF38_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.49496247; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF33_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.49395238; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF32_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.49581757; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF34_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.49437104; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF145_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.48739555; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF144_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.48734645; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF15_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.48842096; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF24_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.48887241; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF31_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.48766698; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF30_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.48779561; Eh |
Results 9841-9850 of 14834 (Search time: 0.008 seconds).