A DFT periodic study on the interaction between O 2 and cation exchanged chabazite MCHA (M = H+, Na+ or Cu+): effects in the triplet–singlet energy gap

Yoana Pérez-Badell, Xavier Solans-Monfort, Mariona Sodupe, Luis A. Montero
  • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry
  • DOI: 10.1039/b914699g