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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/VII VII | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1727.296224; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/S1 S1 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -759.851301695; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/S6 S6 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -879.979348908; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/3a_TES 3a_TES | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) GENECP | -1078.59447431; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/S30 S30 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1768.88052868; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/S8 S8 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -778.148951604; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/S19 S19 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1712.62724020; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/2a 2a | 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/S28 S28 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1394.61612437; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/1u 1u | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) GENECP | -590.410677966; Eh |
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