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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 20-Jul-2018 | /Cr2Zn/Exp CASSCF_S=4 | Spivak, Mariano | Molcas; 8.0 | Single point | CASSCF | - | - | |||
![]() | 20-Jul-2018 | /Cr2Zn/Exp CASSCF_S=0 | Spivak, Mariano | Molcas; 8.0 | Single point | CASSCF | - | - | |||
![]() | 20-Jul-2018 | /Cr2Ni/Exp CASSCF_10_10_S=1 | Spivak, Mariano | Molcas; 8.0 | Single point | CASSCF | - | - | |||
![]() | 20-Jul-2018 | /Cr2Ni/230 CASSCF_10_10_S=1 | Spivak, Mariano | Molcas; 8.0 | Single point | CASSCF | - | - | |||
![]() | 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 | /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_casscf | Spivak, Mariano | Molcas; 8.0 | Single point | CASSCF | - | - |
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