D_Fungicide
CC-BY-4.0
The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-207
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-207
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | blasticidin-S_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81764577; Eh | ||
 | blasticidin-S_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81575696; Eh | ||
 | blasticidin-S_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81580890; Eh | ||
 | blasticidin-S_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81753417; Eh | ||
 | blasticidin-S_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81416035; Eh | ||
 | blasticidin-S_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81884099; Eh | ||
 | blasticidin-S_CONF38_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81769960; Eh | ||
 | blasticidin-S_CONF43_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81736667; Eh | ||
 | blasticidin-S_CONF46_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81715289; Eh | ||
 | blasticidin-S_CONF55_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81585803; Eh | ||
 | blasticidin-S_CONF56_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81580798; Eh | ||
 | blasticidin-S_CONF57_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81702136; Eh | ||
 | blasticidin-S_CONF60_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81654334; Eh | ||
 | blasticidin-S_CONF64_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81718752; Eh | ||
 | blasticidin-S_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81913217; Eh | ||
 | blasticidin-S_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81756374; Eh | ||
 | blasticidin-S_CONF80_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81689100; Eh | ||
 | blasticidin-S_CONF81_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81692014; Eh | ||
 | blasticidin-S_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.81758834; Eh | ||
 | blasticidin-S_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1477.90258664; Eh |
Collection's Items (Sorted by in order): 1 to 20 of 250
Discover
Basis
Stoichiometry
- 54 C14H25N3O9
- 51 C17H26N8O5
- 35 C14H15N3
- 32 C22H24N2O9
- 30 C21H39N7O12
- 24 C12H13N3
- 24 C14H13N3
Calculation type
Institution