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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 TS7b | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2451.74351996; Eh | |||
 | 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 Gb | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2451.82219735; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS6b | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2451.72818627; Eh | |||
 | 18-Oct-2022 | /M06_calculations Db | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2451.75974126; Eh | |||
 | 18-Oct-2022 | /M06_calculations TS10b | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2451.78106729; Eh | |||
 | 18-Oct-2022 | /M06_calculations Eb | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2451.81648368; Eh | |||
 | 18-Oct-2022 | /M06_calculations Cb | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2451.74418206; Eh | |||
 | 1-Apr-2023 | co-pc_HOCO_+2_1_pcm_f_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Minimum | RM06 | GEN | -3238.20664368; Eh | |||
 | 1-Apr-2023 | co-pc-Im_+1_1_pcm_f_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RM06 | GEN | -3275.45625272; Eh |
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