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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Oct-2017/DFT/Water TS3_3_1Bandeira, NunoADF; 2016TSDFTTZP; DZP-46.26625739; Eh
thumbnail.jpeg27-Oct-2017/DFT/Methanol TS3_1Bandeira, NunoADF; 2016TSDFTTZP; DZP-23.68372069; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_3 TS3_3_1Bandeira, NunoADF; 2016TSDFTTZP; DZP-46.63839251; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_3 TS3_1Bandeira, NunoADF; 2016TSDFTTZP; DZP-23.29046358; Eh
thumbnail.jpeg27-Oct-2017/DFT/Water TS3_1Bandeira, NunoADF; 2016TSDFTTZP; DZP-23.09350798; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_3 TS3_3_4Bandeira, NunoADF; 2016TSDFTTZP; DZP-23.43900619; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_2 TS2_1_spin_restrictedBandeira, NunoADF; 2016TSDFTTZP; DZP-46.64045235; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_2 TS2_1_BSBandeira, NunoADF; 2016TSDFTTZP; DZP-46.64052834; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_2 TS2_1aBandeira, NunoADF; 2016TSDFTTZP; DZP-46.63132693; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_1 TS1_3_BSBandeira, NunoADF; 2016TSDFTTZP; DZP-45.91479900; Eh
Results 1-10 of 29 (Search time: 0.001 seconds).