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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 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 | |||
 | 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 TS8a2 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2721.87444108; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS5 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -3474.02339480; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS6a | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2721.89114181; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS7a | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2721.89750070; 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 Ca | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2721.90522924; Eh |
Results 41-50 of 61 (Search time: 0.0 seconds).