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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 BQ | Xu, Jihong | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RM06 | 6-31G(D) | - | |||
 | 18-Oct-2022 | /M06_calculations TS2base-1 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2361.71110322; 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 TS2base-2 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2361.74354213; Eh | |||
 | 18-Oct-2022 | /M06_calculations IM11 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2438.33169940; Eh | |||
 | 18-Oct-2022 | /M06_calculations IM10 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2438.31645834; 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 IM9 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2361.74245049; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS12 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2438.29846823; Eh | |||
 | 18-Oct-2022 | /M06_calculations 3b | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) | -730.891519237; Eh |
Results 461-470 of 540 (Search time: 0.002 seconds).