Browsing by Author González Fabra, Joan

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-
thumbnail.jpeg18-Oct-2017/1V/V_Product V_ProductGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/V_Product_OH V_Product_OHGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
thumbnail.jpeg18-Oct-2017/2V/Dimer DimerGonzález Fabra, JoanADF; 2016Geometry optimizationDFTTZ2P-
thumbnail.jpeg18-Oct-2017/2V/TS_CC_V2 TS_CC_V2González Fabra, JoanADF; 2016Geometry optimizationDFTTZ2P-
thumbnail.jpeg18-Oct-2017/2V/TS_CC_V2/Opt OptGonzález Fabra, JoanADF; 2016TSDFTTZ2P-
thumbnail.jpeg18-Oct-2017/2V/TS_CC_V2/Opt/Freq FreqGonzález Fabra, JoanADF; 2016Single point TSDFTTZ2P-