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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
19-Sep-2022 | /Thiophene TS2B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM062X | DEF2SVP | -4205.30676242; Eh | ||||
19-Sep-2022 | /Indole_NBS TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM062X | DEF2SVP | -4055.19026579; Eh |
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