05745581

j

05745581 Zheng, Han Wang, Shenglong Zhang, Yingkai Increasing the time step with mass scaling in born-oppenheimer {\it ab initio} QM/MM molecular dynamics simulations. J. Comput. Chem. 30, No. 16, 2706-2711 (2009). 2009 John Wiley, Bognor Regis, West Sussex EN

doi:10.1002/jcc.21296