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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/III_Cl_Cpstar III_Cl_Cpstar | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1663.34987970; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/KIE_110/III_D_Cp_110 III_D_Cp_110 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -967.894374582; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/III_Me_Cpstar III_Me_Cpstar | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1243.08628152; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/III_H_Cp III_H_Cp | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -967.894375328; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/1ae 1ae | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -769.935997240; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/3a_Ph 3a-Ph | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) GENECP | -783.025470684; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/KIE_110/I_Cp_star_110 I_Cp_star_110 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1462.21289103; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/KIE_110/1j_110 1j_110 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) GENECP | -436.615062001; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/KIE_110/2_110 2_110 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -734.344017649; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/S33 S33 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1099.04343646; Eh |
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