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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 TS8b | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2451.72709207; Eh | |||
 | 18-Oct-2022 | /M06_calculations IM7 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -3474.08612313; 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 Ca | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2721.90522924; 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 IM6 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2438.34248638; 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 TS4 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2438.31386946; Eh | |||
 | 18-Oct-2022 | /M06_calculations Da | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2721.91220341; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS15 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2721.88255659; Eh |
Results 51-60 of 61 (Search time: 0.001 seconds).