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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Oct-2017/DFT/Water 3_4_2Bandeira, NunoADF; 2016Geometry optimization MinimumDFTTZP; DZP-23.01897271; Eh
thumbnail.jpeg27-Oct-2017/DFT/Methanol 3_2_1Bandeira, NunoADF; 2016Geometry optimization MinimumDFTTZP; DZP-23.71919655; Eh
thumbnail.jpeg27-Oct-2017/DFT/Methanol 3Bandeira, NunoADF; 2016Geometry optimization MinimumDFTTZP; DZP-23.72240129; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_3 3_2_2_tripletBandeira, NunoADF; 2016Geometry optimization MinimumDFTTZP; DZP-46.65329050; Eh
thumbnail.jpeg27-Oct-2017/DFT/Water 3_2_2Bandeira, NunoADF; 2016Geometry optimization MinimumDFTTZP; DZP-46.27586050; Eh
thumbnail.jpeg27-Oct-2017/DFT/Water 3_2_1Bandeira, NunoADF; 2016Geometry optimization MinimumDFTTZP; DZP-23.12908050; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_3 3_3_3Bandeira, NunoADF; 2016Geometry optimization MinimumDFTTZP; DZP-23.44427102; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_1 1_4Bandeira, NunoADF; 2016Geometry optimization MinimumDFTTZP; DZP-45.95756126; Eh
thumbnail.jpeg27-Oct-2017/DFT Amide_ProductBandeira, NunoADF; 2016Geometry optimization MinimumDFTTZP; DZP-23.21284734; 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).