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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Feb-2023 | diethofencarb_CONF100_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -901.91990676; Eh | |||
 | 9-Feb-2023 | diethofencarb_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -901.91840998; Eh | |||
 | 9-Feb-2023 | diethofencarb_CONF46_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -901.89882330; Eh | |||
 | 9-Feb-2023 | diethofencarb_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -901.90048058; Eh | |||
 | 9-Feb-2023 | diethofencarb_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -901.89818251; Eh | |||
 | 9-Feb-2023 | diethofencarb_CONF48_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -901.89919029; Eh | |||
 | 9-Feb-2023 | diethofencarb_CONF50_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -901.90170390; Eh | |||
 | 9-Feb-2023 | diethofencarb_CONF45_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -901.89919990; Eh | |||
 | 9-Feb-2023 | ethaboxam_CONF162_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82865110; Eh | |||
 | 9-Feb-2023 | ethaboxam_CONF165_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82665926; Eh |
Results 1531-1540 of 1588 (Search time: 0.002 seconds).
Discover
Calculation type