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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
20-Feb-2023 | SP1_crystal_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.56174135232; Eh | ||||
20-Feb-2023 | SP1_crystal_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.53828754432; Eh |
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