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  Search result  Your search for [subject]Density functional theory returned 3 records.  
 
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  Thesis Density functional theory calculations on the effect of adding messo- and beta-halogens (F, Cl, and Br) on iron porphyrin group: an application to hydrogen based fuel cell.

by Rabe, Rabin R.; 2006.

Subject: Physics; Halogens; Density functional theory.

  
     
Relevance: 21.27%
 
     
  Thesis H2 dissociative adsorption on Pt3Ti(111) - a density functional theory investigation.

by Mozo, Romel R.; 2009.

Subject: Physics; Hydrogenation; Density functional theory; Hydrogen.

  
     
Relevance: 21.04%
 
     
  Thesis A density functional theory based investigations on the electronic and solubility properties of functionalized single-walled carbon nanotubes.

by Mananghaya, Michael R.; 2012.

Subject: Physics; Density functional theory; Carbon nanotubes-electronic properties; Single-walled carbon nanotubes; Computational modeling.

  
     
Relevance: 17.72%
 
     
 
         
         
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