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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 TS14 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2929.06837412; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS13 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -3474.02212030; Eh | |||
 | 18-Oct-2022 | /M06_calculations IM13 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -3474.02999229; Eh | |||
 | 18-Oct-2022 | /M06_calculations IM12 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -3026.74874299; Eh | |||
 | 18-Oct-2022 | /M06_calculations IM15 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2929.08268732; Eh | |||
 | 18-Oct-2022 | /M06_calculations IM14 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2929.09795406; Eh | |||
 | 18-Oct-2022 | /M06_calculations 1a | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) | -730.846925044; Eh | |||
 | 18-Oct-2022 | /M06_calculations 2 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) | -447.270027695; Eh | |||
 | 18-Oct-2022 | /M06_calculations PPh3 | Xu, Jihong | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RM06 | 6-31G(D) | - | |||
 | 18-Oct-2022 | /M06_calculations BQ | Xu, Jihong | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RM06 | 6-31G(D) | - |
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