Hydration of the chloride ion in concentrated aqueous solutions using neutron scattering and molecular dynamics

References

• J.W. Morgan and E. Anders, Proc. Natl. Acad. Sci. U.S.A. Phys. Sci. 77, 6973 (1980).
   PubMed Web of Science ®Google Scholar
• J. Lyman and R.H. Fleming, J. Marine Res. 3, 134 (1940).
   Google Scholar
• L. Petit, R. Vuilleumier, P. Maldivi, and C. Adamo, J. Chem. Theory Comput. 4, 1040 (2008).
   PubMed Web of Science ®Google Scholar
• I.S. Joung and T.E. Cheatham, J. Phys. Chem. B 112, 9020 (2008).
   PubMed Web of Science ®Google Scholar
• K. Yamanaka, M. Yamagami, T. Takamuku, T. Yamaguchi, and H. Wakita, J. Phys. Chem. 97, 10835 (1993).
   Web of Science ®Google Scholar
• D.H. Powell, G.W. Neilson, and J.E. Enderby, J. Phys. 5, 5723 (1993).
   Google Scholar
• S. Ansell, A.C. Barnes, P.E. Mason, G.W. Neilson, and S. Ramos, Biophys. Chem. 124, 171 (2006).
   PubMed Web of Science ®Google Scholar
• G.W. Neilson, P.E. Mason, S. Ramos, and D. Sullivan, Philos. Trans. R. Soc. A 359, 1575 (2001).
   Web of Science ®Google Scholar
• G.W. Neilson and J.E. Enderby, Proc. R. Soc. London Ser. A 390, 353 (1983); S. Ansell, R.H. Tromp, and G.W. Neilson, J. Phys. 7, 1513 (1995); P.S. Salmon and G.W. Neilson, ibid. 1, 5291 (1989).
   Web of Science ®Google Scholar
• S. Ansell, J. DupuyPhilon, J.F. Jal, and G.W. Neilson, J. Phys. 9, 8835 (1997); A.C. Barnes, J.E. Enderby, J. Breen, and J.C. Leyte, Chem. Phys. Lett. 142, 405 (1987); J.E. Wilson, S. Ansell, J.E. Enderby, and G.W. Neilson, ibid. 278, 21 (1997); T.W.N. Bieze, R.H. Tromp, J.R.C. Vandermaarel, Mhjm Vanstrien, M.C. Bellissentfunel, G.W. Neilson, and J.C. Leyte, J. Phys. Chem. 98 4454 (1994).
   Google Scholar
• I. Howell and G.W. Neilson, J. Phys. 8, 4455 (1996); R.H. Tromp, G.W. Neilson, and A.K. Soper, J. Chem. Phys. 96, 8460 (1992); A.P. Copestake, G.W. Neilson, and J.E. Enderby, J. Phys. C 18, 4211 (1985).
   Google Scholar
• A.K. Soper and K. Weckstrom, Biophys. Chem. 124, 180 (2006); I. Harsanyi and L. Pusztai, J. Chem. Phys. 137, 204503 (2012); F. Bruni, S. Imberti, R. Mancinelli, and M.A. Ricci, ibid. 136 064520 (2012); S. Tazi, J.J. Molina, B. Rotenberg, P. Turq, R. Vuilleumier, and M. Salanne, ibid. 136, 114507 (2012); I. Harsanyi, L. Temleitner, B. Beuneu, and L. Pusztai, J. Mol. Liq. 165, 94 (2012); I. Harsanyi, P.A. Bopp, A. Vrhovsek, and L. Pusztai, ibid. 158, 61 (2011); R. Mancinelli, A. Botti, F. Bruni, M.A. Ricci, and A.K. Soper, J. Phys. Chem. B 111, 13570 (2007).
   PubMed Web of Science ®Google Scholar
• S.J. Stuart and B.J. Berne, J. Phys. Chem. 100, 11934 (1996); G. Lamoureux and B. Roux, J. Phys. Chem. B 110, 3308 (2006).
   Web of Science ®Google Scholar
• K.P. Jensen and W.L. Jorgensen, J. Chem. Theory Comput. 2, 1499 (2006).
   PubMed Web of Science ®Google Scholar
• S. Weerasinghe and P.E. Smith, J. Chem. Phys. 119, 11342 (2003).
   Web of Science ®Google Scholar
• M.B. Gee, N.R. Cox, Y.F. Jiao, N. Bentenitis, S. Weerasinghe, and P.E. Smith, J. Chem. Theory Comput. 7, 1369 (2011).
   PubMed Web of Science ®Google Scholar
• I.V. Leontyev and A.A. Stuchebrukhov, J. Chem. Phys. 130, 085102 (2009).
   Google Scholar
• A. Rahman and F.H. Stillinger, J. Chem. Phys. 55, 3336 (1971).
   Web of Science ®Google Scholar
• O. Guvench, S.S. Mallajosyula, E.P. Raman, E. Hatcher, K. Vanommeslaeghe, T.J. Foster, F.W. Jamison, and A.D. MacKerell, J. Chem. Theory Comput. 7, 3162 (2011); A.D. MacKerell, D. Bashford, M. Bellott, R.L. Dunbrack, J.D. Evanseck, M.J. Field, S. Fischer, J. Gao, H. Guo, S. Ha, D. Joseph-McCarthy, L. Kuchnir, K. Kuczera, F.T.K. Lau, C. Mattos, S. Michnick, T. Ngo, D.T. Nguyen, B. Prodhom, W.E. Reiher, B. Roux, M. Schlenkrich, J.C. Smith, R. Stote, J. Straub, M. Watanabe, J. Wiorkiewicz-Kuczera, D. Yin, and M. Karplus, J. Phys. Chem. B 102, 3586 (1998); Y. Duan, C. Wu, S. Chowdhury, M.C. Lee, G.M. Xiong, W. Zhang, R. Yang, P. Cieplak, R. Luo, T. Lee, J. Caldwell, J.M. Wang, and P. Kollman, J. Comput. Chem. 24, 1999 (2003).
   PubMed Web of Science ®Google Scholar
• P.E. Mason, E. Wernersson, and P. Jungwirth, J. Phys. Chem. B 116, 8145 (2012).
   PubMed Web of Science ®Google Scholar
• M. Vazdar, P. Jungwirth, and P.E. Mason, J. Phys. Chem. B 117, 1844 (2012).
   Web of Science ®Google Scholar
• I.V. Leontyev and A.A. Stuchebrukhov, J. Chem. Theory Comput. 6, 3153 (2010).
   PubMed Web of Science ®Google Scholar
• I. Leontyev and A. Stuchebrukhov, Phys. Chem. Chem. Phys. 13, 2613 (2011); I.V. Leontyev and A.A. Stuchebrukhov, J. Chem. Theory Comput. 6, 1498 (2010).
   PubMed Web of Science ®Google Scholar
• M. Soniat and S.W. Rick, J. Chem. Phys. 137, 044511 (2012).
   PubMed Web of Science ®Google Scholar
• H.E. Fischer, G.J. Cuello, P. Palleau, D. Feltin, A.C. Barnes, Y.S. Badyal, and J.M. Simonson, Appl. Phys. A 74, S160 (2002).
   Web of Science ®Google Scholar
• H.J.C. Berendsen, J.R. Grigera, and T.P. Straatsma, J. Phys. Chem. 91, 6269 (1987).
   Web of Science ®Google Scholar
• E. Pluharova, P.E. Mason, and P. Jungwirth, J. Phys. Chem. A 117, 11766 (2013).
   Web of Science ®Google Scholar
• W.L. Jorgensen and J.J. Tirado-Rives Am. Chem. Soc. 110, 1657 (1988).
   PubMed Web of Science ®Google Scholar
• L.X. Dang, J.E. Rice, J. Caldwell, and P.A. Kollman, J. Am. Chem. Soc. 113, 2481 (1991).
   Web of Science ®Google Scholar
• J.L.F. Abascal and C. Vega, J. Chem. Phys. 123, 234505 (2005).
   PubMed Web of Science ®Google Scholar
• B. Hess, C. Kutzner, D. van der Spoel, and E. Lindahl, J. Chem. Theory Comput. 4, 435 (2008).
   PubMed Web of Science ®Google Scholar
• G. Bussi, D. Donadio, and M. Parrinello, J. Chem. Phys. 126, 014101 (2007).
   PubMed Web of Science ®Google Scholar
• S. Miyamoto and P.A. Kollman, J. Comput. Chem. 13, 952 (1992).
   Web of Science ®Google Scholar
• U. Essmann, L. Perera, M.L. Berkowitz, T. Darden, H. Lee, and L.G. Pedersen, J. Chem. Phys. 103, 8577 (1995).
   Web of Science ®Google Scholar
• P.E. Mason and J.W. Brady, J. Phys. Chem. B 111, 5669 (2007).
   PubMed Web of Science ®Google Scholar
• S. Varma and S.B. Rempe, Biophys. Chem. 124, 192 (2006).
   PubMed Web of Science ®Google Scholar