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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 13-Mar-2025 | lactofen_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24291231; Eh | ||||
| 13-Mar-2025 | lactofen_CONF48_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24426022; Eh | ||||
| 13-Mar-2025 | lactofen_CONF38_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24366766; Eh | ||||
| 13-Mar-2025 | lactofen_CONF373_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24293717; Eh | ||||
| 13-Mar-2025 | lactofen_CONF361_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24353872; Eh | ||||
| 13-Mar-2025 | lactofen_CONF360_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24313971; Eh | ||||
| 13-Mar-2025 | lactofen_CONF359_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24323105; Eh | ||||
| 13-Mar-2025 | lactofen_CONF356_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24148116; Eh | ||||
| 13-Mar-2025 | lactofen_CONF92_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.23892408; Eh | ||||
| 13-Mar-2025 | lactofen_CONF81_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24108085; Eh |
Results 1111-1120 of 3134 (Search time: 0.002 seconds).
Discover
Calculation type