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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Oct-2017/1V/ICs/IC ICGonzález Fabra, JoanADF; 2016Geometry optimization TSDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/ICs/Ensemble_V2 Ensemble_V2González 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_BP_H2O V_BP_H2OGonzález Fabra, JoanADF; 2016Geometry optimization TSDFTTZ2P-
thumbnail.jpeg23-Oct-2017/Subs_Diol/Product ProductGonzález Fabra, JoanADF; 2016Geometry optimization TSDFTTZ2P-
thumbnail.jpeg18-Oct-2017/2V/V2_Product V2_ProductGonzález Fabra, JoanADF; 2016Geometry optimization TSDFTTZ2P-
thumbnail.jpeg18-Oct-2017/2V/V_Oxidation/V2_O2/V2_O2/Freq FreqGonzález Fabra, JoanADF; 2016Geometry optimization TSDFTTZ2P-
thumbnail.jpeg18-Oct-2017/2V/V_Oxidation/V2_O2/V2_O2_OH_Trip V2_O2_OH_TripGonzález Fabra, JoanADF; 2016Geometry optimization TSDFTTZ2P-
thumbnail.jpeg26-Oct-2017/Organic_path_b 2b_Bandeira, NunoADF; 2013; 01Geometry optimization TSDFTDZP-4.14947249; Eh
thumbnail.jpeg26-Oct-2017/Organic_path_b 1bBandeira, NunoADF; 2013; 01Geometry optimization TSDFTDZP-4.04401733; Eh
Results 1-10 of 94 (Search time: 0.003 seconds).