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ÎÒͶµÄһƪPCCP½á¹û±»×ªµ½ÁËRSC advance£¬²»ÖªÊÇ·ñÄܽÓÊÕ£¿ ÁíÍâÒ»¸öÉó¸åÈËÌá³öµÄÖ÷ÒªÎÊÌ⣺Several important issues have to be clarified. 1. Page 6, the text below Scheme 1. The 2 ns NPT trajectory seems to be a too short for equilibrating the system [emim][Gly] and water. The densities of the mixture of H2O and [emim][Gly] obtained from MD simulations are used below (Section 4, page 12). The authors must prove that the systems with different mole fractions of H2O are well equilibrated. ´ó¼ÒÊÇ·ñ°ïÎÒ¿¼ÂÇÒ»ÏÂÈçºÎ»Ø¸´Ñ½£¡ лл |
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