1. Institute of Chemical Research of Catalonia

Browsing by Subject Polyoxometalates

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Showing results 1 to 20 of 2593  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Apr-20200e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
thumbnail.jpeg8-Apr-202012e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
thumbnail.jpeg21-Aug-202417O-NMR_A-α-AsV3W9O40Buils, JordiAMS; 2021.101; r94406Single point NMROPBETZP-460.104500; eV
thumbnail.jpeg21-Aug-202417O-NMR_B-α-AsV3W9O39Buils, JordiAMS; 2021.101; r94406Single point NMROPBETZ2P-462.009189; eV
thumbnail.jpeg21-Aug-202417O_NMR_(AsW9O33)2(VO)3Buils, JordiAMS; 2021.101; r94406Single point NMROPBETZP-801.895022; eV
thumbnail.jpeg21-Aug-2024183W-NMR_A-α-AsV3W9O40Buils, JordiAMS; 2021.101; r94406Single point NMROPBETZP-460.104500; eV
thumbnail.jpeg21-Aug-2024183W-NMR_B-α-AsV3W9O39Buils, JordiAMS; 2021.101; r94406Single point NMROPBETZP-455.214001; eV
thumbnail.jpeg21-Aug-2024183W_NMR_(AsW9O33)2(VO)3Buils, JordiAMS; 2021.101; r94406Single point NMROPBETZP-801.895022; eV
thumbnail.jpeg8-Apr-202018e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
thumbnail.jpeg8-Apr-20201e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
thumbnail.jpeg8-Apr-202024e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
thumbnail.jpeg21-Aug-202451V-NMR_A-α-AsV3W9O40Buils, JordiAMS; 2021.101; r94406Single point NMROPBETZP-460.104500; eV
thumbnail.jpeg21-Aug-202451V-NMR_B-α-AsV3W9O39Buils, JordiAMS; 2021.101; r94406Single point NMROPBETZP-455.214001; eV
thumbnail.jpeg21-Aug-202451V_NMR_(AsW9O33)2(VO)3Buils, JordiAMS; 2021.101; r94406Single point NMROPBETZP-801.895022; eV
thumbnail.jpeg8-Apr-20206e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required20-Sep-2019andersontype1Mateo, AnaADF; 2016Geometry optimizationBP86TZP-
Login required20-Sep-2019andersontype1_ProdMateo, AnaADF; 2016Geometry optimizationBP86TZP-
Login required20-Sep-2019andersontype2Mateo, AnaADF; 2017Geometry optimizationBP86TZP-
Login required20-Sep-2019andersontype2_Prod1Mateo, AnaADF; 2017Geometry optimizationBP86TZP-
Login required20-Sep-2019andersontype2_Prod2Mateo, AnaADF; 2017Geometry optimizationBP86TZP-
Showing results 1 to 20 of 2593  next >