1. Institute of Chemical Research of Catalonia

Browsing by Subject Vanadium

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Showing results 1 to 20 of 489  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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.jpeg18-Oct-2017/1V/Alkoxide AlkoxideGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/Alkoxide/Hydrogen_Bond Hydrogen_BondGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/Chelate ChelateGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/ICs/Ensemble_V2 Ensemble_V2González Fabra, JoanADF; 2016Geometry optimization TSDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/ICs/IC ICGonzález Fabra, JoanADF; 2016Geometry optimization TSDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/ICs/IC_HLigand IC_HLigandGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/ICs/IC_HOax IC_HOaxGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
thumbnail.jpeg20-Oct-2017/1V/TS-OV TS-OVGonzález Fabra, JoanADF; 2016TSDFTTZ2P-
thumbnail.jpeg20-Oct-2017/1V/TS-OV/Freq Freq-TSGonzález Fabra, JoanADF; 2016Single point TSDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/TS_CC TS_CCGonzález Fabra, JoanADF; 2016TSDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/TS_CC/Freq FreqGonzález Fabra, JoanADF; 2016Single point TSDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/V_BP_H2O V_BP_H2OGonzález Fabra, JoanADF; 2016Geometry optimization TSDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/V_BP_H2O/V_III V_IIIGonzález Fabra, JoanADF; 2016Geometry optimization TSDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/V_OH_BP V_OH_BPGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
Showing results 1 to 20 of 489  next >