Geometry and electronic structure of ultrafine/nanoparticle chromium clusters (Crn, n = 2-5) and their interaction with oxygen (triplet) and ethylene molecules: A DFT-NBO study

Geometry and electronic structure of ultrafine/nanoparticle chromium clusters (Crn, n = 2-5) and their interaction with oxygen (triplet) and ethylene molecules: A DFT-NBO study

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 1084, 15 May 2016, Pages 169-178

Ali H. Pakiari, Saba Shariati,