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 | pyrifenox_E_CONF68_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84628235; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF69_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84626063; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF66_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84617586; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF71_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84634026; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF72_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84625570; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF8_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84354232; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF80_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84447028; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF10_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51892289; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52127452; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF302_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95629283; Eh |
Results 3061-3070 of 4613 (Search time: 0.003 seconds).
Discover
Calculation type