Browsing by Author Almora, Neyvis

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Showing results 21 to 23 of 23 < previous 
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Apr-2017Pt260NPAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlySingle point---1284.94171579; eV
thumbnail.jpeg6-Apr-2017Pt260NP-(_N(CH3)3CH2OH_H2PO4)57Almora, Neyvisvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlySingle point---9779.36029660; eV
thumbnail.jpeg6-Apr-2017sym-Pt(111)-_N(CH3)3CH2OH_H2PO4Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlySingle point---1574.64164637; eV