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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Si_freqsRoser, MoralesADF; 2017Single point MinimumDFTTZP-
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Sii_freqsRoser, MoralesADF; 2017Single point TSDFTTZP-
Login required8-May-2018/Sc3N@C80 Sc3N@C80_2Roser, MoralesADF; 2017Geometry optimizationDFTTZP-62.44533274; Eh
Login required31-May-2018ScGdO@C1(36652)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.26692325; Eh
Login required31-May-2018ScGdO@C1(34647)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.27615121; Eh
Login required31-May-2018ScGdO@C1(39631)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.28700673; Eh
Results 11-20 of 179 (Search time: 0.0 seconds).