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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Sep-2022 | fluopyram_CONF153_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.56451971; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF6_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.55303996; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF5_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.55305751; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF28_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.55228681; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF7_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.55283876; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF66_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.55353133; Eh | |||
 | 8-Sep-2022 | mepronil_CONF62_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -864.55673778; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF64_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.55340644; Eh | |||
 | 8-Sep-2022 | mepronil_CONF59_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -864.55634186; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF54_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.55112536; Eh |
Results 31-40 of 2544 (Search time: 0.001 seconds).
Discover
Program name
- 2544 Orca