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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Jun-2022 | /Electronic_structure/DFs COF-Co_quartet_PBE | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UPBEPBE | DEF2TZVP DEF2SVP GEN | -2527.14993689; Eh | |||
 | 13-Jun-2022 | /Electronic_structure/DFs COF-Co_doublet_PBE0 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | DEF2TZVP DEF2SVP GEN | -2527.23649678; Eh | |||
 | 13-Jun-2022 | /Electronic_structure/DFs COF-Co_doublet_PBE | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UPBEPBE | DEF2TZVP DEF2SVP GEN | -2527.15710842; Eh | |||
 | 13-Jun-2022 | /Electronic_structure/DFs COF-Co_quartet_M06 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM06 | DEF2TZVP DEF2SVP GEN | -2527.84158608; Eh | |||
 | 13-Jun-2022 | /Electronic_structure/DFs COF-Co_quartet_PBE0 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | DEF2TZVP DEF2SVP GEN | -2527.24161823; Eh | |||
 | 13-Jun-2022 | /Electronic_structure/DFs COF-Co_doublet_M06 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM06 | DEF2TZVP DEF2SVP GEN | -2527.83639297; Eh |
Results 1-6 of 6 (Search time: 0.001 seconds).