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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
12-Dec-2022 | SC5OMeB_ScPr_MD | Lledó, Agustí | Amber; 20 | Molecular Dynamics | - | - | -0.72308627904; Eh | ||||
12-Dec-2022 | SC5OMeB_RNaphth_MD | Lledó, Agustí | Amber; 20 | Molecular Dynamics | - | - | -0.6314864697599999; Eh | ||||
12-Dec-2022 | SC5OMeB_MD | Lledó, Agustí | Amber; 20 | Molecular Dynamics | - | - | -0.7012501344; Eh |
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