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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSS24_S25 TSS24-S25_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1511.005021; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/S6 S6_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -880.0937415; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TS_Cl_Cpstar_II_III TS_Cl_Cpstar_II_III_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1663.6221107; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSII_III/NBO TSII_III_NBO | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1007.1650585; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/S20 S20_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1959.8369719; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/KIE_110/TS_H_Cpstar_II_III TS_H_Cpstar_II_III_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1164.7029069; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/KIE_110/TS_D_Cp_II_III_110 TS_D_Cp_II_III_110_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -968.0826384; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/KIE_110/TS_H_Cpstar_II_III TS_H_Cpstar_II_III | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | GENECP | - | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/KIE_110/III_D_Cpstar_II_III III_D_Cpstar_II_III | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | GENECP | - | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/KIE_110/III_D_Cp_110 III_D_Cp_110_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -968.1193499; Eh |
Results 31-40 of 160 (Search time: 0.002 seconds).