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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | difenoconazole_RR_CONF9_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.68450612; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF108_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66707841; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF109_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66702693; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF11_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66658941; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF119_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66680055; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF142_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66869403; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF141_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66869937; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF14_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66694761; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF160_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66964902; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF161_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66983940; Eh |
Results 151-160 of 5179 (Search time: 0.002 seconds).
Discover
Program name
- 5179 Orca