Browsing by Title

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 21 to 40 of 32023 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/Mo2O2S8H B3Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.92332575; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/Mo2O2S8H CBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.93461249; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/W2O2S8H A1Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.97276454; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/W2O2S8H A2Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.97275010; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/W2O2S8H B1Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.98676759; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/W2O2S8H B2Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.97753086; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/W2O2S8H B3Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.96374772; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/W2O2S8H CBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.97271051; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S6H2 BA1Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.60475893; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/2_H+/Mo2O2S6H2 BA2Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.60339154; Eh
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