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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/TS_Cl_Cpstar_II_III TS_Cl_Cpstar_II_III | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1663.32180154; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSII_III TSII_III | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1007.16505848; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TS_Br_Cpstar_II_III TS_Br_Cpstar_II_III | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1216.32124713; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSVI_VII TSVI_VII | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1886.78329591; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSS12_S13 TSS12-S13 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -983.875003644; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSS33_Vprima TSS33_Vprima | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1099.02451641; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSVIprima_S34 TSVIprima_S34 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1473.31366354; Eh |
Results 21-27 of 27 (Search time: 0.001 seconds).