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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Mar-2023 | exo_THC_Ag_Iso1_6 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70494708; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso1_7 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.69456658; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_114 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66983155; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_121 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66434908; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_131 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.67201010; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_15 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66838384; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_116 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66433696; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_120 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66749597; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66487315; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_128 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.67336313; Eh |
Results 61-70 of 507 (Search time: 0.001 seconds).
Discover
Subject
- 473 cannabinoid
- 473 THC
- 34 Ag
- 34 AgO
- 34 density functional theory
- 34 DFT
- 34 metal nanoparticles
- 34 Nanoparticles
- 34 oxidized metals
- 34 oxygen adsorption
- next >
Method
- 238 DLPNO-CCSD(T)
- 34 DFT