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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 Ga | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2721.96816275; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS8a2 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2721.87444108; Eh | |||
 | 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 TS8a1 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2721.87672536; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS8a3 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2721.88694641; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS8a | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2721.89060172; Eh | |||
 | 18-Oct-2022 | /M06_calculations 3a | Xu, Jihong | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RM06 | 6-31G(D) | - | |||
 | 18-Oct-2022 | /M06_calculations 1b | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) | -460.690310045; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS11 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2756.58760518; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS10a | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2721.93650317; Eh |
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