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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
25-May-2022 | Self-folding_cavitand | lopez, ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | 6-31G(D) | -4895.67205641; Eh |
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