Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
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(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(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(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(5,6-Me_ind)2_STAG_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(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(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(2-Me_ind)2_EC_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 | - | - |
Results 1-10 of 24 (Search time: 0.001 seconds).
Discover
Calculation type
- 24 Single point