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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Sep-2018/2_electrons/1_H+/Mo2O2S8H B3Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-3.22122281; Eh
thumbnail.jpeg19-Sep-2018/1_electron/2_H+/Mo2O2S8H2 BA2Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-3.04927364; Eh
thumbnail.jpeg19-Sep-2018/1_electron/2_H+/Mo2O2S8H2 BC1Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-3.03127574; Eh
thumbnail.jpeg19-Sep-2018/1_electron/2_H+/Mo2O2S8H2 BA1Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-3.05011754; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/W2O2S8H B2Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.97753086; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/0_H+ W2O2S8(2-)Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-3.01446985; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/0_H+ Mo2O2S6(2-)Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.67460734; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/0_H+ Mo2O2S8(2-)Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.97429846; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/Mo2O2S6H ABandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.63445499; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/Mo2O2S6H BBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.65022452; Eh
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