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 | oxpoconazole_CONF45_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51991352; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF49_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52009631; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF5_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51801310; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF53_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52014460; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF54_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52067667; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF59_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84653871; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF58_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84633463; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF6_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84312213; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF60_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84637546; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF63_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84629937; Eh |
Results 3051-3060 of 4613 (Search time: 0.003 seconds).
Discover
Calculation type