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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Apr-2018/ADF17_calculations/electrochemistry Siii_neutralRoser, MoralesADF; 2017Geometry optimizationDFTTZP-26.41488913; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/electrochemistry Siii_red1Roser, MoralesADF; 2017Geometry optimizationDFTTZP-26.56469589; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/electrochemistry Siii_ox1Roser, MoralesADF; 2017Geometry optimizationDFTTZP-26.23374829; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/electrochemistry Siii_ox2Roser, MoralesADF; 2017Geometry optimizationDFTTZP-26.02486217; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/electrochemistry Siii_red2Roser, MoralesADF; 2017Geometry optimizationDFTTZP-26.67730035; 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
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Siv_optRoser, MoralesADF; 2017Geometry optimizationDFTTZP-26.40932319; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Si_optRoser, MoralesADF; 2017Geometry optimizationDFTTZP-26.40950289; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Siii_freqsRoser, MoralesADF; 2017Single point MinimumDFTTZP-
Results 1-10 of 36 (Search time: 0.0 seconds).