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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 TS4 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2438.31386946; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS2 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -1990.99294545; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS3 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -1991.00529699; 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 TS13 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -3474.02212030; 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 | |||
 | 18-Oct-2022 | /M06_calculations TS8a3 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2721.88694641; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS11 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2756.58760518; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS10a | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2721.93650317; Eh |
Results 1-10 of 25 (Search time: 0.0 seconds).