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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 V_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1512.8272557; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET I_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1265.8592791; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/TSS28_S29 TSS28-S29_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1394.8517558; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/III III_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1007.4349457; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/2b 2b_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1181.4860893; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/1j 1j_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -436.7298145; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/S24 S24_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1511.0295938; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/S12 S12_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -984.1417227; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/ICp_star ICp_star_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -1462.4768822; Eh | ||||
23-Mar-2020 | /Paper/Outputs_Inputs_CGET/S15 S15_spbs | García, Cristina | Gaussian; 09 | Single point Structure | RwB97XD | GENECP | -984.1551916; Eh |
Results 1-10 of 160 (Search time: 0.002 seconds).