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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS crga_ba_ms1 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -16251.89047326; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS crcu_ba_ms1 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -15967.60423400; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS crga_ba_ms3 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -16251.92053270; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS crcu_ba_ms3 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -15967.63903245; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS crfe_ba_ms0 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -15590.80145076; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS crfe_ba_ms2 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -15590.88784897; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS crcr_ba_ms0 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -15371.57123576; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS crcr_ba_ms2 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -15371.67437254; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS crco_ba_ms1 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -15709.94969170; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS crcd_ba_ms0 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -14495.25296715; Eh |
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