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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 Ea | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2721.96569829; 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 Gb | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2451.82219735; Eh | ||||
18-Oct-2022 | /M06_calculations Db | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2451.75974126; Eh | ||||
18-Oct-2022 | /M06_calculations Eb | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2451.81648368; Eh | ||||
18-Oct-2022 | /M06_calculations Cb | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2451.74418206; Eh |
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