Browsing by Author Abella, Laura

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Showing results 26 to 31 of 31 < previous 
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required31-May-2018ScGdO@C1(39631)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.28700673; Eh
Login required31-May-2018ScGdO@C2v(39705)-C82_Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.30271180; Eh
Login required31-May-2018ScGdO@C2v(9)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.33984590; Eh
Login required31-May-2018ScGdO@C3v(8)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.34336247; Eh
Login required31-May-2018ScGdO@Cs(6)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.34102115; Eh
thumbnail.jpeg1-Mar-2016UV-vis-NIR_of_Sc2O@Td(2)-C76Abella, LauraADF; 2012; 01Single pointDFTTZP; TZ2P-