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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /w_cn5_oh_oh PBE_S_distorted | Mariusz, Radon | TURBOMOLE; 7.4.1 | U-DFT | def2-TZVP | -683.1651729489; Eh | ||
 | /w_cn5_oh_oh PBE_T_distorted | Mariusz, Radon | TURBOMOLE; 7.4.1 | U-DFT | def2-TZVP | -683.1434454497; Eh | ||
 | /w_cn5_oh_oh PBE0_T_distorted | Mariusz, Radon | TURBOMOLE; 7.4.1 | U-DFT | def2-TZVP | -683.0698582322; Eh | ||
 | /w_cn5_oh_oh PBE0_T_pentabpy | Mariusz, Radon | TURBOMOLE; 7.4.1 | U-DFT | def2-TZVP | -683.0684733536; Eh | ||
 | /w_cn5_oh_oh PBE0_S_distorted | Mariusz, Radon | TURBOMOLE; 7.4.1 | U-DFT | def2-TZVP | -683.0874578339; Eh | ||
 | /w_cn5_oh_oh PBE0_S_pentabpy | Mariusz, Radon | TURBOMOLE; 7.4.1 | U-DFT | def2-TZVP | -683.0604952185; Eh | ||
 | /w_cn5_oh_oh PBE0_S_pentabpy_Tcorr | Mariusz, Radon | TURBOMOLE; 7.4.1 | U-DFT | def2-TZVP | -683.0655336961; Eh | ||
 | /w_cn5_oh_oh2 PBE0_S_distorted | Mariusz, Radon | TURBOMOLE; 7.4.1 | U-DFT | def2-TZVP | -683.5392488208; Eh | ||
 | /w_cn5_oh_oh2 PBE0_T_pentabpy | Mariusz, Radon | TURBOMOLE; 7.4.1 | U-DFT | def2-TZVP | -683.5331888063; Eh | ||
 | /w_cn5_oh_oh2 PBE0_S_pentabpy | Mariusz, Radon | TURBOMOLE; 7.4.1 | U-DFT | def2-TZVP | -683.5251199743; Eh | ||
 | /w_cn5_oh_oh2 PBE0_S_pentabpy_Tcorr | Mariusz, Radon | TURBOMOLE; 7.4.1 | U-DFT | def2-TZVP | -683.5304229162; Eh | ||
 | /w_cn5_oh_oh2 PBE_S_distorted | Mariusz, Radon | TURBOMOLE; 7.4.1 | U-DFT | def2-TZVP | -683.6135123367; Eh | ||
 | /w_cn5_oh_oh2 PBE_T_pentabpy | Mariusz, Radon | TURBOMOLE; 7.4.1 | U-DFT | def2-TZVP | -683.6009475057; Eh |
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