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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Oct-2017/DFT/Water 3_4_1Bandeira, NunoADF; 2016Geometry optimization TSDFTTZP; DZP-46.29931999; Eh
thumbnail.jpeg27-Oct-2017/DFT/Water 3Bandeira, NunoADF; 2016Geometry optimization TSDFTTZP; DZP-23.12912893; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_3 3_3_3_plus_productBandeira, NunoADF; 2016Geometry optimization TSDFTTZP; DZP-46.67774979; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_3 3_2_3Bandeira, NunoADF; 2016Geometry optimization TSDFTTZP; DZP-46.67163996; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_3 3_2_1Bandeira, NunoADF; 2016Geometry optimization TSDFTTZP; DZP-23.31370121; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_1 1_2_BSBandeira, NunoADF; 2016Geometry optimization TSDFTTZP; DZP-45.93738049; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_1 1_1Bandeira, NunoADF; 2016Geometry optimization TSDFTTZP; DZP-22.57311763; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_1 1_5Bandeira, NunoADF; 2016Geometry optimization TSDFTTZP; DZP-
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-
Results 1-10 of 94 (Search time: 0.001 seconds).