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Browsing by Author Sánchez Muñoz, Laura

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Showing results 1 to 20 of 114  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2025T10_ligand_optimization_Singlet_State_B3LYPSánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-4445.46860123; Eh
thumbnail.jpeg17-Oct-2025T10_ligand_optimization_Singlet_State_CAMB3LYPSánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-4445.87909481; Eh
thumbnail.jpeg17-Oct-2025T10_ligand_optimization_Singlet_State_PBESánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-4442.24978011; Eh
thumbnail.jpeg17-Oct-2025T10_ligand_optimization_Singlet_State_WB97xDSánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-4448.66616596; Eh
thumbnail.jpeg17-Oct-2025T11_ligand_optimization_Singlet_State_B3LYPSánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-4445.44917768; Eh
thumbnail.jpeg17-Oct-2025T11_ligand_optimization_Singlet_State_CAMB3Sánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-4445.86098905; Eh
thumbnail.jpeg17-Oct-2025T11_ligand_optimization_Singlet_State_PBESánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-4442.26456148; Eh
thumbnail.jpeg17-Oct-2025T11_ligand_optimization_Singlet_State_WB97xDSánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-4448.64898172; Eh
thumbnail.jpeg17-Oct-2025T12_ligand_optimization_Singlet_State_B3LYPSánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-2921.95639156; Eh
thumbnail.jpeg17-Oct-2025T12_Ligand_optimization_Singlet_State_CAMB3LYPSánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-2922.23743148; Eh
thumbnail.jpeg17-Oct-2025T12_ligand_optimization_Singlet_State_PBESánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-2920.21669094; Eh
thumbnail.jpeg17-Oct-2025T12_Ligand_optimization_Singlet_State_WB97xDSánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-2924.30856414; Eh
thumbnail.jpeg17-Oct-2025T13_ligand_optimization_Singlet_State_B3LYPSánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-2764.86898083; Eh
thumbnail.jpeg17-Oct-2025T13_Ligand_optimization_Singlet_State_CAMB3LYPSánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-2765.12254879; Eh
thumbnail.jpeg17-Oct-2025T13_Ligand_optimization_Singlet_State_PBESánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-2763.25640716; Eh
thumbnail.jpeg17-Oct-2025T13_ligand_optimization_Singlet_State_WB97xDSánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-2767.02574708; Eh
thumbnail.jpeg17-Oct-2025T14_ligand_optimization_Singlet_State_CAMB3LYPSánchez Muñoz, LauraOrca; 5.0.4; RELEASEGeometry optimizationDFTDEF2-TZVP-1994.96320154; Eh
thumbnail.jpeg17-Oct-2025T14_ligand_optimization_Singlet_State_PBESánchez Muñoz, LauraOrca; 5.0.4; RELEASEGeometry optimizationDFTDEF2-TZVP-1993.74671196; Eh
thumbnail.jpeg17-Oct-2025T14_Ligand_optimization_Singlet_State_WB97xDSánchez Muñoz, LauraOrca; 5.0.4; RELEASEGeometry optimizationDFTDEF2-TZVP-1996.22249099; Eh
thumbnail.jpeg17-Oct-2025T15_Ligand_optimization_Singlet_State_B3LYPSánchez Muñoz, LauraOrca; 5.0.3; RELEASEGeometry optimizationDFTDEF2-TZVP-2511.69218271; Eh
Showing results 1 to 20 of 114  next >