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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
16-Nov-2023 | Figure6_TS15_CH | Cao, Yumeng | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | - | DEF2SVP | -2000.34554204; Eh | ||||
16-Nov-2023 | Figure3_1_SCH2TMS | Cao, Yumeng | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPW6B95D3 | DEF2TZVP | -2864.7165362; Eh |
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