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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/2f 2f | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -320.863424213; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/1r 1r | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) GENECP | -575.125231862; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/S10 S10 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1688.47964934; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/III_NO2_Cpstar III_NO2_Cpstar | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1408.20143269; Eh | |||
 | 23-Mar-2020 | /Paper/Outputs_Inputs_CGET/S26 S26 | García, Cristina | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) LANL2DZ GENECP | -1885.00364195; Eh |
Results 91-95 of 95 (Search time: 0.001 seconds).