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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Jun-2020 | /w_cn5_oh_oh2 PBE_S_distorted | Mariusz, Radon | TURBOMOLE; 7.4.1 | Geometry optimization TS | U-DFT | def2-TZVP | -683.6135123367; 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_cn4_o_oh2 PBE0_S | Mariusz, Radon | TURBOMOLE; 7.4.1 | Geometry optimization TS | DFT | def2-TZVP | -590.2031128497; Eh | |||
 | 1-Jun-2020 | /w_cn5_oh_oh2 PBE0_S_pentabpy_Tcorr | Mariusz, Radon | TURBOMOLE; 7.4.1 | Geometry optimization | U-DFT | def2-TZVP | -683.5304229162; Eh | |||
 | 1-Jun-2020 | /w_cn5_oh_oh2 PBE0_S_pentabpy | Mariusz, Radon | TURBOMOLE; 7.4.1 | Geometry optimization TS | U-DFT | def2-TZVP | -683.5251199743; 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 11-17 of 17 (Search time: 0.0 seconds).