Browsing by Author Navarro, Laia
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-May-2021 | /CASSCF_NEVPT2/LS/ECLIPSED Cr(1,2,3,4,5,6,7-Me_ind)2_EC_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/ECLIPSED Cr(1,2,3-Me_ind)2_EC_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/ECLIPSED Cr(1,3-Me_ind)2_EC_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/ECLIPSED Cr(1-Me_ind)2_EC_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/ECLIPSED Cr(2,4,5,6,7-Me_ind)2_EC_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/ECLIPSED Cr(2,4,7-Me_ind)2_EC_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/ECLIPSED Cr(2-Me_ind)2_EC_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/ECLIPSED Cr(4,7-Me_ind)2_EC_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/ECLIPSED Cr(5,6-Me_ind)2_EC_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/ECLIPSED Cr(6-Me_ind)2_EC_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/ECLIPSED Cr(7-Me_ind)2_EC_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/ECLIPSED Cr(ind)2_EC_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/STAGGERED Cr(1,2,3,4,5,6,7-Me_ind)2_STAG_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/STAGGERED Cr(1,2,3-Me_ind)2_STAG_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/STAGGERED Cr(1,3-Me_ind)2_STAG_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/STAGGERED Cr(1-Me_ind)2_STAG_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/STAGGERED Cr(2,4,5,6,7-Me_ind)2_STAG_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/STAGGERED Cr(2,4,7-Me_ind)2_STAG_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/STAGGERED Cr(2-Me_ind)2_STAG_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - | |||
 | 18-May-2021 | /CASSCF_NEVPT2/LS/STAGGERED Cr(4,7-Me_ind)2_STAG_ls | Navarro, Laia | Orca; 4.0.0.2; RELEASE | Single point | ROHF; casscf | - | - |