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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2023 | streptomycin_CONF359_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2109.94615405; Eh | |||
 | 26-Jan-2023 | streptomycin_CONF348_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2109.94624665; Eh | |||
 | 26-Jan-2023 | streptomycin_CONF272_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2109.94625507; Eh | |||
 | 26-Jan-2023 | streptomycin_CONF395_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2109.94120791; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.81764577; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF64_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.81718752; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.81913217; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF57_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.81702136; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF60_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.81654334; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF80_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.81689100; Eh |
Results 21-30 of 155 (Search time: 0.001 seconds).