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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required31-May-2018ScGdC2@C1(39631)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.52842690; Eh
Login required31-May-2018ScGdO@C2v(9)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.33984590; Eh
Login required31-May-2018ScGdC2@C3v(8)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.55508098; Eh
Login required31-May-2018ScGdO@Cs(6)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.34102115; Eh
Login required17-Jul-2018ScGd@C84_ipr_21Abella, LauraADF; 2013; 01Single point MinimumDFTTZP; TZ2P-
Login required17-Jul-2018ScGd@C84_ipr_23Abella, LauraADF; 2013; 01Single point MinimumDFTTZP; TZ2P-
Login required17-Jul-2018ScGd@C84Abella, LauraADF; 2013; 01Single point MinimumDFTTZP; TZ2P-
Login required28-Jun-2017Lu3N@C80_THJ_ori1Abella, LauraADF; 2016Single point MinimumDFTTZP-1459.80863320; eV
thumbnail.jpeg21-Jul-2016Sc2C2@D2(35)-C88Abella, LauraADF; 2012; 01Geometry optimizationDFTTZP-29.14721399; Eh
thumbnail.jpeg21-Jul-2016Sc2@C2(44)-C90Abella, LauraADF; 2012; 01Geometry optimizationDFTTZP-29.15063412; Eh
Results 11-20 of 31 (Search time: 0.001 seconds).