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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Mar-2025 | dodine_CONF1012_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20391897; Eh | |||
 | 23-Mar-2025 | dodine_CONF1052_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20070569; Eh | |||
 | 23-Mar-2025 | dodine_CONF110_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20120807; Eh | |||
 | 23-Mar-2025 | dodine_CONF104_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20169627; Eh | |||
 | 23-Mar-2025 | dodine_CONF107_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20187417; Eh | |||
 | 23-Mar-2025 | dodine_CONF109_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20278933; Eh | |||
 | 23-Mar-2025 | dodine_CONF108_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20213646; Eh | |||
 | 23-Mar-2025 | dodine_CONF1282_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20513644; Eh | |||
 | 23-Mar-2025 | dodine_CONF132_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20272518; Eh | |||
 | 23-Mar-2025 | dodine_CONF138_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20109965; Eh |
Results 881-890 of 1915 (Search time: 0.001 seconds).
Discover
Calculation type