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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S6H2 BB1Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.58402031; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S6H2 BB2Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.62041853; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S6H2 BB3Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.62037781; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S6H2 BC1Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.60151686; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S6H2 BC2Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.59908294; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S8H2 BA1Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.89854356; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S8H2 BA2Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.90005365; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S8H2 BB1Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.87843809; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S8H2 BB2Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.90722986; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S8H2 BB6Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.90417529; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S8H2 BB7Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.90447036; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S8H2 BB8Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.90837916; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S8H2 BC1Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.89290409; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S8H2 BC2Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.89206414; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/W2O2S8H2 BA1Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.93775169; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/W2O2S8H2 BA2Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.93913727; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/W2O2S8H2 BB1Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.91536176; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/W2O2S8H2 BB2Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.94601832; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/W2O2S8H2 BB6Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.94400040; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/W2O2S8H2 BB7Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.93242064; Eh