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11Â¥2009-07-15 02:42:22
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Originally posted by zyj8119 at 2009-7-15 02:42:
ÎÒ½¨Á¢ºÐ×ÓÒ²ÐУ¿ab initioMDÄÜ·ÖÎö¾¶Ïò·Ö²¼º¯ÊýÂ𣿺;ù·½Î»ÒÆÂð£¿

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Insights into the Structure and Dynamics of a Room-Temperature Ionic Liquid:  Ab Initio Molecular Dynamics Simulation Studies of 1-n-Butyl-3-methylimidazolium Hexafluorophosphate ([bmim][PF6]) and the [bmim][PF6]−CO2 Mixture
B. L. Bhargava and S. Balasubramanian
J. Phys. Chem. B, 2007, 111 (17), pp 4477¨C4487
Publication Date (Web): April 07, 2007 (Article)
DOI: 10.1021/jp068898n
12Â¥2009-07-15 09:23:38
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