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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 cosn_rc1_ms3 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -15070.76627292; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS cosn_ba_ms3 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -14880.16645424; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS coru_ba_ms3 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -14760.72432961; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS coni_o1_ms3 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -16248.87777921; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS coni_ma2o2_ms3 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -16439.43493280; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS coni_ma2_ms1 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -16289.27699833; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS crco_ba_ms3 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -15709.94658881; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS cozr_rc1_ms3 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -14903.69873425; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS cozn_wto2_ms1 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -16671.20183113; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS cozn_wto1_ms3 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -16596.17597754; Eh |
Results 41-50 of 226 (Search time: 0.001 seconds).