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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Sep-2023 | /method_selection/UVVis azapent_w_uv_dichloromethane | Mayer, Péter | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RwB97XD; TD-FC | 6-311+G(D,P) | -592.3775367; Eh | |||
 | 18-Apr-2024 | tCo-CN+6H2O_tdwb_tzvp_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RwB97XD; TD-FC | TZVP | -1290.3059231; Eh | |||
 | 18-Apr-2024 | tC-DEA+6H2O_tdwb_pc1_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD; TD-FC | GEN | -1732.9313728; Eh | |||
 | 18-Apr-2024 | tC-DEA+6H2O_tdwb_tzvp_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD; TD-FC | TZVP | -1733.6512117; Eh |
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