THC_Separation
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-6-225
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-225
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | Delta8_THC_Ag_Iso1_11 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66548789; Eh | ||
 | Delta8_THC_Ag_Iso1_20 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66429662; Eh | ||
 | Delta8_THC_Ag_Iso1_23 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66267513; Eh | ||
 | Delta8_THC_Ag_Iso1_26 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66096767; Eh | ||
 | Delta8_THC_Ag_Iso1_27 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.65981544; Eh | ||
 | Delta8_THC_Ag_Iso1_29 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.65941581; Eh | ||
 | Delta8_THC_Ag_Iso1_2 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66672237; Eh | ||
 | Delta8_THC_Ag_Iso1_34 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66195170; Eh | ||
 | Delta8_THC_Ag_Iso1_38 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66254998; Eh | ||
 | Delta8_THC_Ag_Iso1_42 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66217357; Eh | ||
 | Delta8_THC_Ag_Iso1_46 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66004571; Eh | ||
 | Delta8_THC_Ag_Iso1_47 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66286864; Eh | ||
 | Delta8_THC_Ag_Iso1_8 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66238805; Eh | ||
 | Delta8_THC_Ag_Iso2_13 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66204953; Eh | ||
 | Delta8_THC_Ag_Iso2_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66648794; Eh | ||
 | Delta8_THC_Ag_Iso2_21 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66331630; Eh | ||
 | Delta8_THC_Ag_Iso2_2 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66776275; Eh | ||
 | Delta8_THC_Ag_Iso2_4 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66305014; Eh | ||
 | Delta8_THC_Ag_Iso2_5 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66342108; Eh | ||
 | Delta8_THC_Ag_Iso3_12 | Ieritano, Christian | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1115.66695861; Eh |
Collection's Items (Sorted by in order): 1 to 20 of 473
Discover
Subject
- 473 cannabinoid
- 473 silver
- 473 THC
Method
- 238 DLPNO-CCSD(T)
Basis
- 473 def2-TZVPP
- 238 def2-TZVPP/C
Stoichiometry
- 274 C21H30O2Ag
- 104 C21H30O2
- 25 C21H32O2Ag
- 24 C21H26O2Ag
- 24 C21H32O2
- 20 C21H26O2
- 2 Ag
Program name
- 473 Orca
Calculation type
Institution