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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/230 CASSCF_S=0 | Spivak, Mariano | Molcas; 8.0 | Single point | CASSCF | - | - | |||
![]() | 20-Jul-2018 | /dpa Cr2dpa4_2_30_8 | Spivak, Mariano | Molcas; 8.0 | Single point | CASSCF | - | - | |||
![]() | 20-Jul-2018 | /dpa Cr2dpa4_2_30 | Spivak, Mariano | Molcas; 8.0 | Single point | CASSCF | - | - |
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- 13 Molcas
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- 13 Single point