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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Oct-2022 | /M06_calculations Cb | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2451.74418206; Eh | |||
 | 18-Oct-2022 | /M06_calculations IM7 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -3474.08612313; Eh | |||
 | 18-Oct-2022 | /M06_calculations Ca | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2721.90522924; Eh | |||
 | 18-Oct-2022 | /M06_calculations IM6 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2438.34248638; Eh | |||
 | 18-Oct-2022 | /M06_calculations Da | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2721.91220341; Eh | |||
 | 18-Oct-2022 | /M06_calculations 3a_ | Xu, Jihong | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RM06 | 6-31G(D) | - |
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