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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required19-Sep-2018/0_electrons/0_H+ Mo2O2S6(2-)Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.67460734; Eh
Login required19-Sep-2018/0_electrons/0_H+ Mo2O2S8(2-)Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.97429846; Eh
Login required19-Sep-2018/0_electrons/0_H+ W2O2S8(2-)Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-3.01446985; Eh
Login required19-Sep-2018/0_electrons/1_H+/Mo2O2S6H ABandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.63445499; Eh
Login required19-Sep-2018/0_electrons/1_H+/Mo2O2S6H BBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.65022452; Eh
Login required19-Sep-2018/0_electrons/1_H+/Mo2O2S6H CBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.63804783; Eh
Login required19-Sep-2018/0_electrons/1_H+/Mo2O2S8H A1Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.93219869; Eh
Login required19-Sep-2018/0_electrons/1_H+/Mo2O2S8H A2Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.93216777; Eh
Login required19-Sep-2018/0_electrons/1_H+/Mo2O2S8H B1Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.94759396; Eh
Login required19-Sep-2018/0_electrons/1_H+/Mo2O2S8H B2Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.93876636; Eh
Login required19-Sep-2018/0_electrons/1_H+/Mo2O2S8H B3Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.92332575; Eh
Login required19-Sep-2018/0_electrons/1_H+/Mo2O2S8H CBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.93461249; Eh
Login required19-Sep-2018/0_electrons/1_H+/W2O2S8H A1Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.97276454; Eh
Login required19-Sep-2018/0_electrons/1_H+/W2O2S8H A2Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.97275010; Eh
Login required19-Sep-2018/0_electrons/1_H+/W2O2S8H B1Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.98676759; Eh
Login required19-Sep-2018/0_electrons/1_H+/W2O2S8H B2Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.97753086; Eh
Login required19-Sep-2018/0_electrons/1_H+/W2O2S8H B3Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.96374772; Eh
Login required19-Sep-2018/0_electrons/1_H+/W2O2S8H CBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.97271051; Eh
Login required19-Sep-2018/0_electrons/2_H+/Mo2O2S6H2 BA1Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.60475893; Eh
Login required19-Sep-2018/0_electrons/2_H+/Mo2O2S6H2 BA2Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.60339154; Eh