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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Jul-2018 | /Cr2Fe/230 seward | Spivak, Mariano | Molcas; 8.0 | Single point | - | - | - | |||
 | 20-Jul-2018 | /Cr2Fe/Exp CASSCF_14_13_S=6 | Spivak, Mariano | Molcas; 8.0 | Single point | CASSCF | - | - | |||
 | 20-Jul-2018 | /Cr2Fe/230 CASSCF_14_13_S=2 | Spivak, Mariano | Molcas; 8.0 | Single point | CASSCF | - | - | |||
 | 20-Jul-2018 | /Cr2Fe/Exp CASSCF_14_13_S=2 | Spivak, Mariano | Molcas; 8.0 | Single point | CASSCF | - | - | |||
 | 20-Jul-2018 | /Cr2Fe/Exp seward | Spivak, Mariano | Molcas; 8.0 | Single point | - | - | - | |||
 | 20-Jul-2018 | /Cr2Mn/230 Geometry_optimization | Spivak, Mariano | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -21.11248869; Eh | |||
 | 20-Jul-2018 | /Cr2Mn/Exp CASSCF_13_13 | Spivak, Mariano | Molcas; 8.0 | Single point | CASSCF | - | - | |||
 | 20-Jul-2018 | /dpa Cr2dpa4_2_30_8_test | Spivak, Mariano | Molcas; 8.0 | Single point | CASSCF | - | - | |||
 | 20-Jul-2018 | /dpa Cr2dpa4_exp_sew | Spivak, Mariano | Molcas; 8.0 | Single point | - | - | - | |||
 | 20-Jul-2018 | /Cr2Mn/Exp seward | Spivak, Mariano | Molcas; 8.0 | Single point | - | - | - |
Results 11-20 of 25 (Search time: 0.001 seconds).