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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Oct-2017/1V/ICs/IC_HOax IC_HOaxGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/Chelate ChelateGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/V_Product_OH V_Product_OHGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/V_Product V_ProductGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/V_OH_BP V_OH_BPGonzález 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/Alkoxide AlkoxideGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
thumbnail.jpeg23-Oct-2017/Subs_Diol/Diol DiolGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
thumbnail.jpeg26-Oct-2017/Path_b HC2COOHBandeira, NunoADF; 2013; 01Geometry optimization MinimumDFTDZP-1.65410198; Eh
thumbnail.jpeg18-Oct-2017/1V/ICs/IC_HLigand IC_HLigandGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
Results 1-10 of 140 (Search time: 0.002 seconds).