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-Oct-2022 | chloranocryl_CONF4_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1436.92229484; Eh | |||
 | 10-Oct-2022 | chloranocryl_CONF3_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1436.93189664; Eh | |||
 | 10-Oct-2022 | chloranocryl_CONF8_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1436.93231062; Eh | |||
 | 10-Oct-2022 | chloridazon_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1085.60060771; Eh | |||
 | 10-Oct-2022 | chlorotoluron_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1033.90602351; Eh | |||
 | 10-Oct-2022 | desmedipham_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.88947694; Eh | |||
 | 10-Oct-2022 | desmedipham_CONF4_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.88970085; Eh | |||
 | 10-Oct-2022 | desmedipham_CONF7_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.88984781; Eh | |||
 | 10-Oct-2022 | desmedipham_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.91194697; Eh | |||
 | 10-Oct-2022 | desmedipham_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.91283882; Eh |
Results 11-20 of 365 (Search time: 0.0 seconds).
Discover
Calculation type
- 365 Single point