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

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

Published:2016-05 Issue: Volume:1084 Page:169-178
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Pakiari Ali H.,Shariati Saba

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference50 articles.

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