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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Jan-20243_Cl_H2OBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-3861.6618924; Eh
thumbnail.jpeg8-Jan-20243_Cl_H2O_C_C_ProdBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4012.2167923; Eh
thumbnail.jpeg8-Jan-20243_Cl_H2O_O2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4012.0558091; Eh
thumbnail.jpeg8-Jan-20243_Cl_H2O_P1Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4012.0550247; Eh
thumbnail.jpeg8-Jan-20243_Cl_H2O_P2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4012.0716583; Eh
thumbnail.jpeg8-Jan-20243_Cl_O2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-3935.5783465; Eh
thumbnail.jpeg8-Jan-20243_Cl_P1Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-3935.5811683; Eh
thumbnail.jpeg6-Nov-20173_FeBorowski, TomaszGaussian; 09; ES64L-G09RevE.01Single point StructureONIOM; B3LYP; AMBER--2750.46374489; Eh
thumbnail.jpeg8-Jan-20243_H2OBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4162.4128095; Eh
thumbnail.jpeg8-Jan-20243_H2O_CH3CNBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-3534.0741483; Eh
thumbnail.jpeg8-Jan-20243_H2O_CH3CN_O2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-3684.4715635; Eh
thumbnail.jpeg8-Jan-20243_H2O_CH3CN_P1Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-3684.4637616; Eh
thumbnail.jpeg8-Jan-20243_H2O_O2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4312.8065266; Eh
thumbnail.jpeg8-Jan-20243_H2O_P1Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4312.8004486; Eh
thumbnail.jpeg30-Oct-20173_NiBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg8-Jan-20243_O2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4236.3287045; Eh
thumbnail.jpeg8-Jan-20243_P1Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4236.3146584; Eh
thumbnail.jpeg23-Jun-20203_primMiƂaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPGEN-3393.6415607; Eh
Login required18-Oct-20233adiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-1160.95268511; Eh
thumbnail.jpeg27-Feb-20243adiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-1160.95268511; Eh