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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Apr-2018/ADF17_calculations/electrochemistry Siii_red1Roser, MoralesADF; 2017Geometry optimizationDFTTZP-26.56469589; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Siii_freqsRoser, MoralesADF; 2017Single point MinimumDFTTZP-
thumbnail.jpeg23-Apr-2018/ADF17_calculations/electrochemistry Siii_ox1Roser, MoralesADF; 2017Geometry optimizationDFTTZP-26.23374829; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Siii_optRoser, MoralesADF; 2017Geometry optimizationDFTTZP-26.40932045; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Sii_optRoser, MoralesADF; 2017Geometry optimizationDFTTZP-26.40690239; Eh
Login required25-Sep-2018/U@(17418)C76 U@C76_triplet_optRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-25.08741306; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Siv_optRoser, MoralesADF; 2017Geometry optimizationDFTTZP-26.40932319; Eh
Login required28-Jun-2017Lu3N@C80_PHHJ_ori2Abella, LauraADF; 2016Single point MinimumDFTTZP-1459.92251004; eV
Login required28-Jun-2017Lu3N@C80_THJ_ori2Abella, LauraADF; 2016Single point MinimumDFTTZP-1459.82350679; eV
Login required28-Jun-2017Lu3N@C80_mixteAbella, LauraADF; 2016Single point MinimumDFTTZP-1459.96163559; eV
Results 41-50 of 142 (Search time: 0.001 seconds).