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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-May-2023 | pyridate_CONF589_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32037687; Eh | |||
 | 8-May-2023 | pyridate_CONF531_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32037679; Eh | |||
 | 8-May-2023 | pyridate_CONF533_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32001585; Eh | |||
 | 8-May-2023 | pyridate_CONF52_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32097957; Eh | |||
 | 8-May-2023 | pyridate_CONF520_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32083075; Eh | |||
 | 8-May-2023 | pyridate_CONF455_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32201842; Eh | |||
 | 8-May-2023 | pyridate_CONF452_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32385945; Eh | |||
 | 8-May-2023 | pyridate_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.32299448; Eh | |||
 | 8-May-2023 | pyridate_CONF421_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.31957198; Eh | |||
 | 8-May-2023 | pyridate_CONF425_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.31965544; Eh |
Results 61-70 of 948 (Search time: 0.001 seconds).
Discover
Program name
- 948 Orca