代表性论文
Xie, L.; Shen, L.; Chen, Z. N.*; Yang, M*. Efficient free energy calculations by combining two complementary tempering sampling methods. J. Chem. Phys. 2017, 146, 024103-024103.
Chen, Z. N.*; Shen, L.; Yang, M. J.; Fu, G.; Hu, H*. Enhanced Ab Initio Molecular Dynamics Simulation of the Temperature-Dependent Thermodynamics for the Diffusion of Carbon Monoxide on Ru(0001) Surface. J. Phys. Chem. C 2015, 119, 26422-26428.
Chen, Z. N.; Chan, K. Y.; Pulleri, J. K.; Kong, J.; Hu, H*. Theoretical Study on the Mechanism of Aqueous Synthesis of Formic Acid Catalyzed by [Ru3+]-EDTA Complex. Inorg. Chem. 2015, 54, 1314-1324.
Chen, Z. N.; Fu, G.; Xu, X*. Theoretical studies on Grignard reagent formation: radical mechanism versus non-radical mechanism. Org. Biomol. Chem. 2012, 10, 9491-9500
Chen, Z. N.; Fu, G.; Xu, X*. How to Prepare a Chiral Grignard Reagent: A Theoretical Proposal. Org. Lett. 2011, 13, 2046-2049.