-
1
-
-
84923763471
-
-
edited by S. A. Newman, H. E. Barner, M. Klein, and S. I. Sandler (American Chemical Society), Cha 5
-
C. Kerr, in Thermodynamics of Aqueous Systems with Industrial Applications, edited by S. A. Newman, H. E. Barner, M. Klein, and S. I. Sandler (American Chemical Society, 1980), Chap. 5, pp. 91-106.
-
(1980)
Thermodynamics of Aqueous Systems with Industrial Applications
, pp. 91-106
-
-
Kerr, C.1
-
2
-
-
84923826058
-
-
edited by S. A. Newman, H. E. Barner, M. Klein, and S. I. Sandler (American Chemical Society), Cha 11
-
C. Rowland, A. H. Abdulsatta, and D. Burbank, in Thermodynamics of Aqueous Systems with Industrial Applications, edited by S. A. Newman, H. E. Barner, M. Klein, and S. I. Sandler (American Chemical Society, 1980), Chap. 11, pp. 247-267.
-
(1980)
Thermodynamics of Aqueous Systems with Industrial Applications
, pp. 247-267
-
-
Rowland, C.1
Abdulsatta, A.H.2
Burbank, D.3
-
7
-
-
0027721038
-
-
S. Leikin, V. A. Parsegian, D. C. Rau, and R. P. Rand, Ann. Rev. Phys. Chem. 44, 369 (1993). 10.1146/annurev.pc.44.100193.002101
-
(1993)
Ann. Rev. Phys. Chem.
, vol.44
, pp. 369
-
-
Leikin, S.1
Parsegian, V.A.2
Rau, D.C.3
Rand, R.P.4
-
25
-
-
0037044167
-
-
M. Ferrario, G. Ciccotti, E. Spohr, T. Cartailler, and P. Turq, J. Chem. Phys. 117, 4947 (2002). 10.1063/1.1498820
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 4947
-
-
Ferrario, M.1
Ciccotti, G.2
Spohr, E.3
Cartailler, T.4
Turq, P.5
-
30
-
-
77957746230
-
-
A. S. Paluch, S. Jayaraman, J. K. Shah, and E. J. Maginn, J. Chem. Phys. 133, 124504 (2010). 10.1063/1.3478539
-
(2010)
J. Chem. Phys.
, vol.133
-
-
Paluch, A.S.1
Jayaraman, S.2
Shah, J.K.3
Maginn, E.J.4
-
31
-
-
84864191005
-
-
A. S. Paluch, S. Jayaraman, J. K. Shah, and E. J. Maginn, J. Chem. Phys. 137, 039901 (2012). 10.1063/1.4738193
-
(2012)
J. Chem. Phys.
, vol.137
-
-
Paluch, A.S.1
Jayaraman, S.2
Shah, J.K.3
Maginn, E.J.4
-
34
-
-
84898993790
-
-
K. Kobayashi, Y. Liang, T. Sakka, and T. Matsuoka, J. Chem. Phys. 140, 144705 (2014). 10.1063/1.4870417
-
(2014)
J. Chem. Phys.
, vol.140
-
-
Kobayashi, K.1
Liang, Y.2
Sakka, T.3
Matsuoka, T.4
-
36
-
-
79959328604
-
-
F. Moučka, M. Lísal, J. Škvor, J. Jirsák, I. Nezbeda, and W. R. Smith, J. Phys. Chem. B 115, 7849 (2011). 10.1021/jp202054d
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 7849
-
-
Moučka, F.1
Lísal, M.2
Škvor, J.3
Jirsák, J.4
Nezbeda, I.5
Smith, W.R.6
-
38
-
-
2942622288
-
-
H. W. Horn, W. C. Swope, J. W. Pitera, J. D. Madura, T. J. Dick, G. L. Hura, and T. Head-Gordon, J. Chem. Phys. 120, 9665 (2004). 10.1063/1.1683075
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 9665
-
-
Horn, H.W.1
Swope, W.C.2
Pitera, J.W.3
Madura, J.D.4
Dick, T.J.5
Hura, G.L.6
Head-Gordon, T.7
-
41
-
-
0004016501
-
-
W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983). 10.1063/1.445869
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
44
-
-
0242677537
-
-
M. R. Shirts, E. Bair, G. Hooker, and V. S. Pande, Phys. Rev. Lett. 91, 140601 (2003). 10.1103/PhysRevLett.91.140601
-
(2003)
Phys. Rev. Lett.
, vol.91
-
-
Shirts, M.R.1
Bair, E.2
Hooker, G.3
Pande, V.S.4
-
47
-
-
84863083602
-
-
K. B. Daly, J. B. Benziger, P. G. Debenedetti, and A. Z. Panagiotopoulos, Comput. Phys. Commun. 183, 2054 (2012). 10.1016/j.cpc.2012.05.006
-
(2012)
Comput. Phys. Commun.
, vol.183
, pp. 2054
-
-
Daly, K.B.1
Benziger, J.B.2
Debenedetti, P.G.3
Panagiotopoulos, A.Z.4
-
50
-
-
84923764487
-
-
See supplementary material at E-JCPSA6-142-045504 for tables of parameters for the models used, numerical values of activity coefficients, chemical potentials, volumes, and solubilities and a derivation of Eqs. (20)-(22).
-
See supplementary material at http://dx.doi.org/10.1063/1.4906320 E-JCPSA6-142-045504 for tables of parameters for the models used, numerical values of activity coefficients, chemical potentials, volumes, and solubilities and a derivation of Eqs. (20)-(22).
-
-
-
-
52
-
-
33947398571
-
-
J. D. Chodera, W. C. Swope, J. W. Pitera, C. Seok, and K. A. Dill, J. Chem. Theory Comput. 3, 26 (2007). 10.1021/ct0502864
-
(2007)
J. Chem. Theory Comput.
, vol.3
, pp. 26
-
-
Chodera, J.D.1
Swope, W.C.2
Pitera, J.W.3
Seok, C.4
Dill, K.A.5
-
53
-
-
46249092554
-
-
B. Hess, C. Kutzner, D. van der Spoel, and E. Lindahl, J. Chem. Theory Comput. 4, 435 (2008). 10.1021/ct700301q
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 435
-
-
Hess, B.1
Kutzner, C.2
Van Der Spoel, D.3
Lindahl, E.4
-
54
-
-
84943502952
-
-
S. Nosé, Mol. Phys. 52, 255 (1984). 10.1080/00268978400101201
-
(1984)
Mol. Phys.
, vol.52
, pp. 255
-
-
Nosé, S.1
-
55
-
-
0001538909
-
-
W. G. Hoover, Phys. Rev. A 31, 1695 (1985). 10.1103/PhysRevA.31.1695
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695
-
-
Hoover, W.G.1
-
56
-
-
0000026966
-
-
G. J. Martyna, M. E. Tuckerman, D. J. Tobias, and M. L. Klein, Mol. Phys. 87, 1117 (1996). 10.1080/00268979600100761
-
(1996)
Mol. Phys.
, vol.87
, pp. 1117
-
-
Martyna, G.J.1
Tuckerman, M.E.2
Tobias, D.J.3
Klein, M.L.4
-
58
-
-
33645961739
-
-
U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee, and L. G. Pedersen, J. Chem. Phys. 103, 8577 (1995). 10.1063/1.470117
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
61
-
-
0002344794
-
-
E. Bradley, Ann. Stat. 7, 1 (1979). 10.1214/aos/1176344552
-
(1979)
Ann. Stat.
, vol.7
, pp. 1
-
-
Bradley, E.1
-
66
-
-
0141704114
-
-
G. Lamoureux, A. D. MacKerell, Jr., and B. Roux, J. Chem. Phys. 119, 5185 (2003). 10.1063/1.1598191
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 5185
-
-
Lamoureux, G.1
MacKerell, Jr.A.D.2
Roux, B.3
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