521428 Benchmarks for Adsorption on Transition Metal Oxide Surfaces: A Comparison of DFT to Experimental Data for NH3 on MnO(100)

Han Chen and David F. Cox, Chemical Engineering, Virginia Tech, Blacksburg, VA
See more of this Session: Poster Session: Computational Molecular Science and Engineering Forum (CoMSEF)
See more of this Group/Topical: Computational Molecular Science and Engineering Forum