C Shang, CS Whittleston, KH Sutherland-Cash and DJ Wales Analysis of the Contrasting Pathogenicities Induced by the D222G Mutation in 1918 and 2009 Pandemic Influenza A Viruses. J. Chem. Theor. Comput. 2015，11,2307-2314 C Shang, W-N Zhao, Z-P Liu Searching for new TiO2 crystal phases with better photoactivity. J. Phys. Condens. Matter. 2015 27, 134203 How to make a porphyrin flip: dynamics of asymmetric porphyrin oligomers Phys. Chem. Chem. Phys. 2015，17，27094 C Shang, DJ Wales Communication: optimal parameters for basin-hopping global optimization based on Tsallis statistics. J. Chem. Phys.，2014，141, 071101 C Shang, X-J Zhang, Z-P Liu Stochastic surface walking method for crystal structure and phase transition pathway prediction. Phys. Chem. Chem. Phys.，2014，16, 17845 C Shang, Z-P Liu Stochastic surface walking method for structure prediction and pathway searching. J. Chem. Theor. Comput.，2013，9, 1838 C Shang, Z-P Liu Constrained Broyden Dimer Method with Bias Potential for Exploring Potential Energy Surface of Multistep Reaction Process. J. Chem. Theor. Comput.，2012，8, 2215 C Shang, Z-P Liu Origin and activity of gold nanoparticles as aerobic oxidation catalysts in aqueous solution. J. Am. Chem. Soc.，2011 133, 9938, C Shang, Z-P Liu Constrained broyden minimization combined with the dimer method for locating transition state of complex reactions. J. Chem. Theor. Comput.，2010，6, 1136
