Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSS26_VII TSS26-VII_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1885.3511315; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/III_OMe_Cpstar III_OMe_Cpstar_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1318.5641385; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/1p 1p_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -515.3594521; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TS_NO2_Cpstar_II_III TS_NO2_Cpstar_II_III_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1408.5041016; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TS_NO2_Cpstar_II_III/NBO TS_NO2_Cpstar_II_III_NBO | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1408.169919; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/NBO V_NBO | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1512.549643; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSS30_S31 TSS30-S31_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1769.2040821; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/S14 S14_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -984.1425614; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSS17_S18 TSS17-S18_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1301.4129495; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/2d 2d_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -616.5227025; Eh |
Results 11-20 of 160 (Search time: 0.001 seconds).