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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Apr-2023 | co-pc-Im_CO_+2_2_pcm_f_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | UM06 | GEN | -3388.58938765; Eh | ||||
1-Apr-2023 | co-pc-Im_+1_3_pcm_f_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | UM06 | GEN | -3275.46738720; Eh | ||||
1-Apr-2023 | co-pc-Py_+1_3_pcm_f_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Minimum | UM06 | GEN | -3297.49912502; Eh | ||||
1-Apr-2023 | co-pc-Im_+2_2_pcm_f_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | UM06 | GEN | -3275.23794148; Eh | ||||
1-Apr-2023 | co-pc_CO2_+1_3_pcm_nbo_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | UM06 | GEN | -3237.8714512; Eh | ||||
1-Apr-2023 | co-pc-Py_CO2_+1_3_pcm_f_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | UM06 | GEN | -3486.09139250; Eh | ||||
1-Apr-2023 | co-pc-Py_CO_+2_2_pcm_f_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | UM06 | GEN | -3410.59908474; Eh | ||||
1-Apr-2023 | co-pc-Py_+2_2_pcm_f_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | UM06 | GEN | -3297.29090705; Eh | ||||
1-Apr-2023 | co-pc_+2_2_pcm_nbo_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | UM06 | GEN | -3049.0702474; Eh | ||||
1-Apr-2023 | co-pc-Im_CO2_+1_3_pcm_nbo_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | UM06 | GEN | -3464.0602346; Eh |
Results 61-70 of 93 (Search time: 0.001 seconds).