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 | fluopimomide_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1995.66820783; Eh | |||
 | 9-Feb-2023 | pyridachlometyl_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1423.89712436; Eh | |||
 | 9-Feb-2023 | pyridachlometyl_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1423.89589589; Eh | |||
 | 9-Feb-2023 | pyridachlometyl_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1423.89721080; Eh | |||
 | 9-Feb-2023 | pyriofenone_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1589.10813041; Eh | |||
 | 9-Feb-2023 | pyriofenone_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1589.11433790; Eh | |||
 | 9-Feb-2023 | pyriofenone_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1589.11438985; Eh | |||
 | 9-Feb-2023 | pyriofenone_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1589.11450684; Eh | |||
 | 9-Feb-2023 | pyriofenone_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1589.11534422; Eh | |||
 | 9-Feb-2023 | pyriofenone_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1589.09456897; Eh |
Results 31-40 of 1417 (Search time: 0.001 seconds).