G2-G4_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-6-196
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-196
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | dodemorph-cis_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05900200; Eh | ||
 | dodemorph-cis_CONF100_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05739523; Eh | ||
 | dodemorph-cis_CONF101_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05344275; Eh | ||
 | dodemorph-cis_CONF104_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05342778; Eh | ||
 | dodemorph-cis_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05712518; Eh | ||
 | dodemorph-cis_CONF112_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05821259; Eh | ||
 | dodemorph-cis_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05605799; Eh | ||
 | dodemorph-cis_CONF121_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05713500; Eh | ||
 | dodemorph-cis_CONF128_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05823736; Eh | ||
 | dodemorph-cis_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05908399; Eh | ||
 | dodemorph-cis_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05532588; Eh | ||
 | dodemorph-cis_CONF147_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05657740; Eh | ||
 | dodemorph-cis_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.06001377; Eh | ||
 | dodemorph-cis_CONF152_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05871569; Eh | ||
 | dodemorph-cis_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05851011; Eh | ||
 | dodemorph-cis_CONF161_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05809481; Eh | ||
 | dodemorph-cis_CONF167_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05658882; Eh | ||
 | dodemorph-cis_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05712747; Eh | ||
 | dodemorph-cis_CONF172_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05649763; Eh | ||
 | dodemorph-cis_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -837.05639394; Eh |
Collection's Items (Sorted by in order): 1 to 20 of 4138
Discover
Basis
Stoichiometry
- 1488 C18H35NO2
- 516 C21H25N
- 427 C16H21Cl2NO2
- 409 C21H21N
- 316 C18H22N2O2S
- 288 C20H33NO
- 240 C18H35NO
- 217 C19H31N
- 210 C17H21N3O2S
- 27 C14H17Cl2NO2
Calculation type
Institution