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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-May-2025 | radical_CF3 | Rocha Guimaraes, Ana Beatriz | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -337.300466609; Eh | |||
 | 20-May-2025 | sp_ts_CF3_addition_to_internal_carbon_radical_interm_Cl_4-phenyl | Rocha Guimaraes, Ana Beatriz | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -1186.3751403; Eh | |||
 | 20-May-2025 | sp_ts_CF3_addition_to_radical_interm_Cl_4-phenyl-1-butene | Rocha Guimaraes, Ana Beatriz | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -1186.384222; Eh | |||
 | 20-May-2025 | sp_ts_CF3_addition_to_internal_carbon_4-phenyl-1-butene | Rocha Guimaraes, Ana Beatriz | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -726.1862443; Eh | |||
 | 20-May-2025 | sp_ts_CF3_addition_to_phenyl_ring_4-phenyl-1-butene | Rocha Guimaraes, Ana Beatriz | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -726.186181; Eh | |||
 | 20-May-2025 | sp_ts_CF3_addition_to_4-phenyl-1-butene | Rocha Guimaraes, Ana Beatriz | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -726.1909617; Eh | |||
 | 20-May-2025 | 9_wb97xd | Arranz, Isabel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | GENECP | -2992.2721651; Eh | |||
 | 20-May-2025 | 9_m062x | Arranz, Isabel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | GENECP | -2991.5535623; Eh | |||
 | 20-May-2025 | 9_dplno | Arranz, Isabel | Orca; 4.0.1.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVP; AutoAux | -2977.12534494; Eh | |||
 | 20-May-2025 | 9_m06 | Arranz, Isabel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | GENECP | -2991.499959; Eh |
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