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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 IM1 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -3026.75938383; Eh | |||
 | 18-Oct-2022 | /M06_calculations IM2 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -1991.04795267; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS1 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -3026.69158134; Eh | |||
 | 18-Oct-2022 | /M06_calculations A_ | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2579.47798233; Eh | |||
 | 18-Oct-2022 | /M06_calculations Pd(PPh3)2 | Xu, Jihong | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RM06 | GENECP | - | |||
 | 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 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 TS15 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2721.88255659; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS14 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2929.06837412; Eh |
Results 11-20 of 61 (Search time: 0.001 seconds).