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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_+1_1_pcm_f_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RM06 | GEN | -3275.45625272; Eh | ||||
1-Apr-2023 | co-pc_+1_1_pcm_f_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RM06 | GEN | -3049.22218391; Eh | ||||
1-Apr-2023 | co-pc_HOCO_+2_1_pcm_nbo_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RM06 | GEN | -3238.2066437; Eh | ||||
1-Apr-2023 | co-pc-Py_HOCO_+2_1_pcm_f_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RM06 | GEN | -3486.43087002; Eh | ||||
1-Apr-2023 | co-pc-Im_HOCO_+2_1_pcm_nbo_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RM06 | GEN | -3464.4020746; Eh | ||||
1-Apr-2023 | co-pc-Py_HOCO_+2_1_pcm_nbo_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RM06 | GEN | -3486.43087; Eh | ||||
1-Apr-2023 | co-pc-Im_HOCO_+2_1_pcm_f_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RM06 | GEN | -3464.40207463; Eh |
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