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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /manganocene sext_BP86 | Mariusz, Radon | TURBOMOLE; 7.0.1( | U-DFT | def2-TZVP | -1538.427923882; Eh | ||
 | /manganocene doubl_BP86 | Mariusz, Radon | TURBOMOLE; 7.0.1( | U-DFT | def2-TZVP | -1538.459136324; Eh | ||
 | /manganocene doubl_PBE0 | Mariusz, Radon | TURBOMOLE; 7.0.1( | U-DFT | def2-TZVP | -1537.546286777; Eh | ||
 | /manganocene sext_PBE0 | Mariusz, Radon | TURBOMOLE; 7.0.1( | U-DFT | def2-TZVP | -1537.560639471; Eh | ||
 | /manganocene sext_PBE0_ecl | Mariusz, Radon | TURBOMOLE; 7.4.1 | U-DFT | def2-TZVP | -1537.560637096; Eh | ||
 | /manganocene sext_PBE0_toluene | Mariusz, Radon | TURBOMOLE; 7.0.1 | U-DFT | def2-TZVP | -1537.564274351; Eh | ||
 | /manganocene doubl_PBE0_toluene | Mariusz, Radon | TURBOMOLE; 7.0.1 | U-DFT | def2-TZVP | -1537.549560514; Eh |
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