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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Jul-2023 | Rina_S1 | Barroso, Jorge | TURBOMOLE; 7.3 | Single point Excited state | DFT | def2-TZVP | -2590.713595119; Eh |
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