Search
Add filters:
Use filters to refine the search results.
- previous
- 1
- next
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Jun-2020 | /w_cn5_oh_oh PBE_S_distorted | Mariusz, Radon | TURBOMOLE; 7.4.1 | Geometry optimization Minimum | U-DFT | def2-TZVP | -683.1651729489; Eh | |||
 | 1-Jun-2020 | /w_cn5_oh_oh PBE0_S_pentabpy | Mariusz, Radon | TURBOMOLE; 7.4.1 | Geometry optimization Minimum | U-DFT | def2-TZVP | -683.0604952185; Eh | |||
 | 1-Jun-2020 | /w_cn5_oh_oh PBE0_S_distorted | Mariusz, Radon | TURBOMOLE; 7.4.1 | Geometry optimization Minimum | U-DFT | def2-TZVP | -683.0874578339; Eh | |||
 | 1-Jun-2020 | /w_cn5_oh_oh PBE0_T_pentabpy | Mariusz, Radon | TURBOMOLE; 7.4.1 | Geometry optimization Minimum | U-DFT | def2-TZVP | -683.0684733536; Eh | |||
 | 1-Jun-2020 | /w_cn5_oh_oh PBE0_T_distorted | Mariusz, Radon | TURBOMOLE; 7.4.1 | Geometry optimization Minimum | U-DFT | def2-TZVP | -683.0698582322; Eh | |||
 | 1-Jun-2020 | /w_cn5_oh_oh PBE_T_distorted | Mariusz, Radon | TURBOMOLE; 7.4.1 | Geometry optimization Minimum | U-DFT | def2-TZVP | -683.1434454497; Eh | |||
 | 1-Jun-2020 | /w_cn4_o_oh PBE0_S | Mariusz, Radon | TURBOMOLE; 7.4.1 | Geometry optimization Minimum | DFT | def2-TZVP | -589.7368265693; Eh |
Results 1-7 of 7 (Search time: 0.0 seconds).