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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 coni_wto1_ms1 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -16325.16664998; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS coni_o2_ms3 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -16323.95494725; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS coni_ma1_ms3 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -16364.38691347; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS cozr_o2_ms3 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -14863.28305265; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS cozn_rc1_ms3 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -16635.35230798; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS cozn_o1_ms1 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -16519.82658854; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS cozn_ma2_ms1 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -16560.26403331; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS cozn_ma1_ms1 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -16635.36014961; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS cozn_fa1_ms3 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -16635.35252301; Eh | |||
 | 16-Jun-2023 | /DEF2SVP_SINGLEPOINT_DATA_AND_FFS cosn_ma2_ms1 | Mounssef Júnior, Bassim | Orca; 5.0.2; RELEASE | Single point | DFT | def2-svp | -14995.66979499; Eh |
Results 21-30 of 226 (Search time: 0.0 seconds).