1. Center for Computational Chemistry and Molecular Simulation, College of Chemistry and Chemical Engineering, Southwest Petroleum University, Chengdu 610500, China
2. Department of Catalytic Science, SINOPEC (Beijing) Research Institute of Chemical Industry Co., Ltd., Beijing 100013, China
3. School of Computer Science, Southwest Petroleum University, Chengdu 610500, China
4. Department of Technical Physics, University of Eastern Finland, Kuopio 70211, Finland