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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-2017Adsorption_of_nitrobenzeneAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimization---
thumbnail.jpeg6-Apr-2017NEB_of_H2_on_PtNP-HHDMA-wAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimization---5773.04879662; 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
thumbnail.jpeg6-Apr-2017Adsorption_of_nitrobenzene_on_PtNP-_N(CH3)3CH2OH_H2PO4_+_H3O+Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimization---5859.87531054; eV
thumbnail.jpeg6-Apr-2017Pt(111)Almora, Neyvisvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexSingle point---856.47248203; eV
thumbnail.jpeg6-Apr-2017Pt260NPAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlySingle point---1284.94171579; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pt/111/9H C4H9TtoC4H10TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--375.80668816; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pt/111/9H C4H8toC4H9TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--375.51045212; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pt/111/9H C4H8toC4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--375.81625194; eV
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