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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Oct-2017/Solvent_Toluene/Alk_Isom Alk_IsomGonzález Fabra, JoanADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg18-Oct-2017/Solvent_Toluene/Product ProductGonzález Fabra, JoanADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg18-Oct-2017/Solvent_Toluene/IC_HLigand IC_HLigandGonzález Fabra, JoanADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg18-Oct-2017/Solvent_Toluene/V2_O2 V2_O2González Fabra, JoanADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg18-Oct-2017/Solvent_Toluene/IC_HOax IC_HOaxGonzález Fabra, JoanADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg18-Oct-2017/Solvent_Toluene/IC ICGonzález Fabra, JoanADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg20-Oct-2017/1V/TS-OV/Freq Freq-TSGonzález Fabra, JoanADF; 2016Single point TSDFTTZ2P-
thumbnail.jpeg23-Oct-2017/Subs_Diol/Guess_TS Guess_TSGonzález Fabra, JoanADF; 2016Single point TSDFTTZ2P-
thumbnail.jpeg23-Oct-2017/Subs_Diol/Chelate_Diol_Freq Chelate_Diol_FreqGonzález Fabra, JoanADF; 2016Single point MinimumDFTTZ2P-
thumbnail.jpeg23-Oct-2017/Subs_Diol/Product ProductGonzález Fabra, JoanADF; 2016Geometry optimization TSDFTTZ2P-
Results 21-30 of 156 (Search time: 0.001 seconds).