Xiao-Ming Cao

Local Hybrid Divide-and-Conquer Method for the Computation of Medium and Large Molecules.

Zhen Hua Li, Zhi-Pan Liu, Wenning Wang, 2008, Journal of chemical theory and computation.

An understanding of chemoselective hydrogenation on crotonaldehyde over Pt(111) in the free energy landscape: The microkinetics study based on first-principles calculations

Xiao-Ming Cao, Christopher Hardacre, C. Hardacre, 2011 .

Activity and coke formation of nickel and nickel carbide in dry reforming: A deactivation scheme from density functional theory

Xiao-Ming Cao, P. Hu, Jing-Yan Zhu, 2014 .