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_CONF24_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84532343; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF37_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84666308; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF43_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84660701; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF45_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84657158; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF47_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84662931; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF57_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84637141; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF11_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86360833; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF13_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86366995; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86337146; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF19_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86337623; Eh |
Results 2171-2180 of 4613 (Search time: 0.002 seconds).
Discover
Calculation type