[P1-3pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[P1-3pm-17] Theoretical study on the adsorption and dissociation reaction of carbon monoxide on the surface of Cu_nAl_13-n(n=1-5) clusters

^○Tomoya Furusawa¹, Hidenori Matsuzawa¹ (1. Chiba Institute of Technology)

[Lang.] Japanese

Keywords:Cu-Al cluster, carbon monoxide, adsorption energy, dissociation reaction, density functional theory