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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_RNaphth | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | ZDO | -0.585157536596; Eh | ||||
12-Dec-2022 | SC5OMeB_ScPr | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | ZDO | -0.623107508040; Eh | ||||
12-Dec-2022 | SC5OMeB_4CHCl3 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | ZDO | -0.955296873082; Eh |
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