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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/TSS28_S29 TSS28-S29 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1394.59593581; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSS26_VII TSS26-VII | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1885.00369202; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TS_NO2_Cpstar_II_III TS_NO2_Cpstar_II_III | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1408.16991900; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSS30_S31 TSS30-S31 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1768.87865481; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TS_F_Cpstar_II_III TS_F_Cpstar_II_III | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1302.95337695; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSS17_S18 TSS17-S18 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1301.17178878; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TS_CF3_Cpstar_II_III TS_CF3_Cpstar_II_III | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1540.69260690; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSS22_VII TSS22-VII | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -2333.77770912; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSS24_S25 TSS24-S25 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1510.72717282; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TS_H_Cp_II_III TS_H_Cp_II_III | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -967.855493659; Eh |
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