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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Oct-2017/Solvent_Toluene/Reactants/V_BP V_BPGonzález Fabra, JoanADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg18-Oct-2017/Solvent_Toluene/Reactants/H2O H2OGonzález Fabra, JoanADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/ICs/IC ICGonzález Fabra, JoanADF; 2016Geometry optimization TSDFTTZ2P-
thumbnail.jpeg18-Oct-2017/Solvent_Toluene/Reactants/O2 O2González Fabra, JoanADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/ICs/Ensemble_V2 Ensemble_V2González Fabra, JoanADF; 2016Geometry optimization TSDFTTZ2P-
thumbnail.jpeg18-Oct-2017/Solvent_Toluene/TS_V2_O2 TS_V2_O2González Fabra, JoanADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/V_BP_H2O/V_III V_IIIGonzález Fabra, JoanADF; 2016Geometry optimization TSDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/ICs/IC_HOax IC_HOaxGonzález Fabra, JoanADF; 2016Geometry optimization MinimumDFTTZ2P-
thumbnail.jpeg18-Oct-2017/Solvent_Toluene/Reactants/Diol DiolGonzález Fabra, JoanADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg18-Oct-2017/1V/V_BP_H2O V_BP_H2OGonzález Fabra, JoanADF; 2016Geometry optimization TSDFTTZ2P-
Results 1-10 of 96 (Search time: 0.002 seconds).