Electrochemical_of_PNP-HHDMA

CC-BY-4.0

Please use this identifier to cite or link to this collection: doi:10.19061/iochem-bd-1-9

This dataset derived results are published in:

Manuscript title: Electrochemical Effects at Surfactant–Platinum Nanoparticle Interfaces Boost Catalytic Performance

Journal: ChemCatChem

DOI: 10.1002/cctc.201601134

PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegPt260NP-(_N(CH3)3CH2OH_H2PO4)57Almora, Neyvisvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlySingle point---9779.36029660; eV
thumbnail.jpegAdsorption_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.jpegNEB_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.jpegsym-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.jpegAdsorption_of_nitrobenzeneAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimization---
thumbnail.jpegPt260NPAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlySingle point---1284.94171579; eV
thumbnail.jpegPt(111)Almora, Neyvisvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexSingle point---856.47248203; eV
Collection's Items (Sorted by in order): 1 to 7 of 7
RSS Feed RSS Feed RSS Feed