1 Hinton J F, Amis E S. Solvation numbers of ions. Chem Rev, 1971, 71: 627-674？？
[2]
3 Ohtaki H, Radnal T. Structure and dynamics of hydrated ions. Chem Rev, 1993, 93: 1157-1204？？
[3]
5 Collins K D, Neilson G W, Enderby J E. Ions in water: Characterizing the forces that control chemical processes and biological structure.Biophys Chem, 2007, 128: 95-104？？
[4]
6 Marcus Y. Effect of ions on the structure of water: Structure making and breaking. Chem Rev, 2009, 109: 1346-1370？？
[5]
7 Rode B M, Hofer T S. How to access structure and dynamics of solutions: The capabilities of computational methods. Pure Appl Chem,2006, 78: 525-539？？
[6]
8 Masia M. Ab initio based polarizable force field parametrization. J Chem Phys, 2008, 128: 184107？？
[7]
13 Anisimov V M, Vorobyov I V, Roux B, et al. Polarisable empirical force field for the primary and secondary alcohol series based on theclassical Drude mdel. J Chem Theory Comput, 2007, 3: 1927-1946？？
[8]
14 Yang Z Z, Wu Y, Zhao D X. Atom-bond electronegativity equalization method fused into molecular mechanics. I. A seven-site fluctuatingcharge and flexible body water potential function for Water clusters. J Chem Phys, 2004, 120: 2541-2557？？
[9]
18 Wu Y, Yang Z Z. Atom-bond electronegativity equalization method fused into molecular mechanics.Ⅱ. A seven-site fluctuating chargeand flexible body water potential function for liquid water. J Phys Chem A, 2004, 108: 7563-7576？？
22 Wang F F, Zhao D X, Gong L D. Ab initio and ABEEM/MM fluctuating charge model studies of dimethyl phosphate anion in a microhydratedenvironment. Theor Chem Acc, 2009, 124: 139-150？？
[12]
23 Zhao D X, Liu C, Wang F F, et al. Development of a polarizable force field using multiple fluctuating charge per atom. J Chem TheoryComput, 2010, 6: 795-804
[13]
30 Hockney R W. The potential calculation and some applications. Meth Comput Phys, 1970, 9: 136-210
[14]
2 Marcus Y. Ionic radii in aqueous solutions. Chem Rev, 1988, 88: 1475-1498？？
[15]
4 Akesson R, Pettersson L G M, Sandstrom M, et al. Ligand field effects in the hydrated divalent and trivalent metal ions of the first andsecond transition periods. J Am Chem Soc, 1994, 116: 8691-8704？？
[16]
9 Lamurenx G, Roux B. Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm.J Chem Phys, 2003, 119: 3025-3039？？
[17]
10 Xie W, Pu J, MacKerell A D Jr, et al. Development of a polarizable intermolecular liquid amides and alkanes. J Chem Theory Comput,2007, 3: 1878-1889？？
[18]
11 Wang Z X, Zhang W, Wu C, et al. Strike a balance: Optimization of backbone torsion parameters of AMBER polarization force field forsimulations of proteins and peptides. J Comput Chem, 2006, 27: 781-790？？
[19]
12 Jorgenson W L, Jensen K P, Alexandrova A N. Polarization effects for hydrogen-bonded complexes of substituted phends with water. JChem Theory Comput, 2007, 3: 1987-1992？？
[20]
15 Jorgensen W L. Special issue on polarization. J Chem Theory Comput, 2007, 3: 1877？？
[21]
16 Yang Z Z, Wang C S. Atom-bond electronegativity equalization method.Ⅰ. Calculation of the charge distribution in large molecules. JPhys Chem A, 1997, 101: 6315-6321？？
[22]
17 Wang C S, Yang Z Z. Atom-bond electronegativity equalization method.Ⅱ. One-pair electron model. J Chem Phys, 1999, 110: 6189-6197？？
[23]
19 Yang Z Z, Li X. Ion solvation in water from molecular dynamics simulation with the ABEEM/MM force field. J Phys Chem A, 2005, 109:3517-3520？？
[24]
20 Li X, Gong L D, Yang Z Z. Molecular dynamics simulations of LiCl association and NaCl association in water by means of ABEEM/MM.Sci China Ser B-Chem, 2008, 51: 1221-1230？？
[25]
24 Ohtaki H, Yamaguchi T, Maeda M. X-ray diffraction studies of structures of hydrated divalent transition-metal ions in aqueous solution.Bull Chem Soc Jpn, 1976, 49: 701-707？？
[26]
25 Yague J I, Mohammed A M, Loeffler H, et al. Classical and mixed quantum mechanical/molecular mechanical simulation of hydratedManganous ion. J Phys Chem A, 2001, 105: 7646-7650？？
[27]
26 Waizumi K, Ohtaki H, Masuda H, et al. Density functional calculations on the geometries and dissociation energies of [M(H2O)2+ ions.M2+=Cr2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, and Zn2+. Chem Lett, 1992, 8: 1489-1492
[28]
27 Loeffler H H, Yague J I, Rode B M. Many-body effects in combined quantum mechanical/molecular mechanical simulations of the hydratedManganous ion. J Phys Chem A, 2002, 106: 9529-9532？？
[29]
28 Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian 03, Revision D 01. Wallingford, CT: Gaussian Inc, 2004
[30]
29 Berendsen H J C, Postma J P M, van Gunsteren W F, et al. Molecular dynamics with coupling to an external bath. J Phys Chem, 1984, 81:3684-3690？？
