Article ID Journal Published Year Pages File Type
7667951 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2018 8 Pages PDF
Abstract
CO binds strongly to Ni4 cluster, and reason behind higher dissociation energy barrier is investigated. Higher spin multiplicity and doping of hydrogen in Ni4 cluster reduces the dissociation energy barrier. Ab initio molecular orbital analysis and NBO analysis are carried out to understand the donor-acceptor relationship between CO adsorption on Ni4 cluster.81
Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
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