• Article  

      Structural and electronic properties of bare and capped Cd nSe n/Cd nTe n Nanoparticles (n = 6, 9) 

      Kuznetsov, A. E.; Balamurugan, D.; Skourtis, Spiros S.; Beratan, David N. (2012)
      Relationships between structures and properties (energy gaps, vertical ionization potentials (IP v), vertical electron affinities (EA v), and ligand binding energies) in small capped CdSe/CdTe nanoparticles (NPs) are poorly ...
    • Article  

      Two-Electron Transfer Pathways 

      Lin, J.; Balamurugan, D.; Zhang, P.; Skourtis, Spiros S.; Beratan, David N. (2015)
      The frontiers of electron-transfer chemistry demand that we develop theoretical frameworks to describe the delivery of multiple electrons, atoms, and ions in molecular systems. When electrons move over long distances through ...