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 | CBC_307 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.82601402; Eh | ||||
15-Mar-2023 | CBC_785 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.82286611; Eh | ||||
15-Mar-2023 | CBC_644 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.82564320; Eh | ||||
15-Mar-2023 | CBD_277 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.83176597; Eh | ||||
15-Mar-2023 | CBD_44 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.83119033; Eh | ||||
15-Mar-2023 | CBD_74 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.83091485; Eh | ||||
15-Mar-2023 | CBD_185 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.83116978; Eh | ||||
15-Mar-2023 | CBD_26 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.83469422; Eh | ||||
15-Mar-2023 | CBD_39 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.83241722; Eh | ||||
15-Mar-2023 | CBD_28 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.83466549; Eh |
Results 481-490 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