-
1
-
-
0020330963
-
Electrical conductances and ionization constants of calcium chloride and magnesium chloride in aqueous solutions at temperatures to 600&C and pressures to 400 bars
-
Frantz, J.D. and Marshall, W.L. (1982) "Electrical conductances and ionization constants of calcium chloride and magnesium chloride in aqueous solutions at temperatures to 600&C and pressures to 400 bars", American Journal of Science 282, 1666.
-
(1982)
American Journal of Science
, vol.282
, pp. 1666
-
-
Frantz, J.D.1
Marshall, W.L.2
-
3
-
-
0000385804
-
Ion association of dilute aqueous sodium hydroxide solutions to 600°C and 300 MPa by conductance measurements
-
Ho, P.C. and Palmer, D.A. (1996) "Ion association of dilute aqueous sodium hydroxide solutions to 600°C and 300 MPa by conductance measurements", J. Solution. Chem. 25, 711.
-
(1996)
J. Solution. Chem.
, vol.25
, pp. 711
-
-
Ho, P.C.1
Palmer, D.A.2
-
4
-
-
0000787165
-
Molecular dynamics simulation of the limiting conductance of NaCl in supercritical water
-
Lee, S.H., Cummings, P.T., Simonson, J.M. and Mesmer, R.E. (1998) "Molecular dynamics simulation of the limiting conductance of NaCl in supercritical water", Chem. Phys. Lett. 293, 289.
-
(1998)
Chem. Phys. Lett.
, vol.293
, pp. 289
-
-
Lee, S.H.1
Cummings, P.T.2
Simonson, J.M.3
Mesmer, R.E.4
-
5
-
-
0001132278
-
Molecular dynamics simulation of the limiting conductance of LiCl, BaBr, and CsBr in supercritical water
-
Lee, S.H. and Cummings, P.T. (2000) "Molecular dynamics simulation of the limiting conductance of LiCl, BaBr, and CsBr in supercritical water", J. Chem. Phys. 112, 864.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 864
-
-
Lee, S.H.1
Cummings, P.T.2
-
6
-
-
1242346370
-
The missing term in effective pair potentials
-
Berendsen, H.J., Grigera, C.J.R. and Straatsma, T.P. (1987) "The missing term in effective pair potentials", Phys. Chem. 91, 6269.
-
(1987)
Phys. Chem.
, vol.91
, pp. 6269
-
-
Berendsen, H.J.1
Grigera, C.J.R.2
Straatsma, T.P.3
-
7
-
-
33645865438
-
Molecular dynamics simulation of ionic mobility. I. Alkali metal cations in water at 25°C
-
Lee, S.H. and Rasaiah, J.C. (1994) "Molecular dynamics simulation of ionic mobility. I. Alkali metal cations in water at 25°C", J. Chem. Phys. 101, 6964.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 6964
-
-
Lee, S.H.1
Rasaiah, J.C.2
-
8
-
-
0542436251
-
Molecular dynamics simulation of ionic mobility. 2. Alkali metal and halide ions using the SPC/E model for water at 25°C
-
Lee, S.H. and Rasaiah, J.C. (1996) "Molecular dynamics simulation of ionic mobility. 2. Alkali metal and halide ions using the SPC/E model for water at 25°C", J. Phys. Chem. 100, 1420.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 1420
-
-
Lee, S.H.1
Rasaiah, J.C.2
-
9
-
-
0001324374
-
Solvent structure, dynamics, and ion mobility in aqueous solutions at 25°C
-
Koneshan, S., Rasaiah, J.C., Lynden-Bell, R.M. and Lee, S.H. (1998) "Solvent structure, dynamics, and ion mobility in aqueous solutions at 25°C", J. Phys. Chem. B. 102, 4193.
-
(1998)
J. Phys. Chem. B.
, vol.102
, pp. 4193
-
-
Koneshan, S.1
Rasaiah, J.C.2
Lynden-Bell, R.M.3
Lee, S.H.4
-
10
-
-
36749117884
-
Revised TIPS model for simulations of liquid water and aqueous solutions
-
Jorgensen, W.L. (1982) "Revised TIPS model for simulations of liquid water and aqueous solutions", J. Chem. Phys. 77, 4156.
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 4156
-
-
Jorgensen, W.L.1
-
11
-
-
84906391926
-
Temperature and size dependence for Monte Carlo simulations of TIP4P water
-
Jorgensen, W.L. and Maura, J.D. (1985) "Temperature and size dependence for Monte Carlo simulations of TIP4P water", Mol. Phys. 56, 1381.
-
(1985)
Mol. Phys.
, vol.56
, pp. 1381
-
-
Jorgensen, W.L.1
Maura, J.D.2
-
13
-
-
0001003346
-
Implementation of nonadditive intermolecular potentials by use of molecular dynamics: Development of a water-water potential and water-ion cluster interactions
-
Caldwell, J., Dang, L.X. and Kollman, P.A. (1990) "Implementation of nonadditive intermolecular potentials by use of molecular dynamics: development of a water-water potential and water-ion cluster interactions", J. Am. Chem. Soc. 112, 9144.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 9144
-
-
Caldwell, J.1
Dang, L.X.2
Kollman, P.A.3
-
14
-
-
0000042113
-
Ion solvation in polarizable water: Molecular dynamics simulations
-
Dang, L.X., Rice, J.E., Caldwell, J. and Kollman, P.A. (1991) "Ion solvation in polarizable water: molecular dynamics simulations", J. Am. Chem. Soc. 113, 2481.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 2481
-
-
Dang, L.X.1
Rice, J.E.2
Caldwell, J.3
Kollman, P.A.4
-
15
-
-
11144316610
-
+ ion in supercritical water using polarizable models
-
+ ion in supercritical water using polarizable models", Mol. Sim., 29, 211.
-
(2002)
Mol. Sim.
, vol.29
, pp. 211
-
-
Lee, S.H.1
-
18
-
-
20544431602
-
Effect of the treatment of long-range forces on the dynamics of ions in aqueous solutions
-
Perera, L., Essmann, U. and Berkowitz, M.L. (1995) "Effect of the treatment of long-range forces on the dynamics of ions in aqueous solutions", J. Chem. Phys. 102, 450.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 450
-
-
Perera, L.1
Essmann, U.2
Berkowitz, M.L.3
-
19
-
-
0001786236
-
Simulation of electrostatic systems in periodic boundary conditions. I. Lattice sums and dielectric constant
-
De Leeuw, S.W., Perram, J.W. and Smith, E.R. (1980) "Simulation of electrostatic systems in periodic boundary conditions. I. Lattice sums and dielectric constant", Proc. R. Soc. Land. A373, 27.
-
(1980)
Proc. R. Soc. Land.
, vol.A373
, pp. 27
-
-
De Leeuw, S.W.1
Perram, J.W.2
Smith, E.R.3
-
20
-
-
0001158363
-
Monte Carlo studies of the dielectric properties of water-like models
-
Barker, J.A. and Watts, R.O. (1973) "Monte Carlo studies of the dielectric properties of water-like models", Mol. Phys. 26, 789.
-
(1973)
Mol. Phys.
, vol.26
, pp. 789
-
-
Barker, J.A.1
Watts, R.O.2
-
22
-
-
36449003662
-
A computer simulation study of the liquid-vapor coexistence curve of water
-
Guissani, Y. and Guillot, B. (1993) "A computer simulation study of the liquid-vapor coexistence curve of water", J. Chem. Phys. 98, 8221.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 8221
-
-
Guissani, Y.1
Guillot, B.2
-
23
-
-
0002680189
-
Non-equilibrium molecular dynamics simulation of dense fluid methane
-
Simmons, A.D. and Cummings, P.T. (1986) "Non-equilibrium molecular dynamics simulation of dense fluid methane", Chem. Phys. Lett. 129, 92.
-
(1986)
Chem. Phys. Lett.
, vol.129
, pp. 92
-
-
Simmons, A.D.1
Cummings, P.T.2
-
24
-
-
0000617302
-
High strain rate plastic flow studied via nonequilibrium molecular dynamics
-
Hoover, W.G., Ladd, A.J.C. and Moran, B. (1982) "High strain rate plastic flow studied via nonequilibrium molecular dynamics", Phys. Rec. Lett. 48, 1818.
-
(1982)
Phys. Rec. Lett.
, vol.48
, pp. 1818
-
-
Hoover, W.G.1
Ladd, A.J.C.2
Moran, B.3
-
25
-
-
36749108497
-
Computer experiment for non-linear thermodynamics of Couette flow
-
Evans, D.J. (1983) "Computer experiment for non-linear thermodynamics of Couette flow", J. Chem. Phys. 78, 3297.
-
(1983)
J. Chem. Phys.
, vol.78
, pp. 3297
-
-
Evans, D.J.1
-
26
-
-
0001412505
-
Nonequilibrium molecular dynamics via Gauss's principle of least constraint
-
Evans, D.J., Hoover, W.G., Failor, B.H., Moran, B. and Ladd, A.J.C. (1983) "Nonequilibrium molecular dynamics via Gauss's principle of least constraint", Phys. Rev. A 28, 1016.
-
(1983)
Phys. Rev. A
, vol.28
, pp. 1016
-
-
Evans, D.J.1
Hoover, W.G.2
Failor, B.H.3
Moran, B.4
Ladd, A.J.C.5
-
27
-
-
0000623669
-
On the representation of orientation space
-
Evans, D.J. (1977) "On the representation of orientation space", Mol. Phys. 34, 317.
-
(1977)
Mol. Phys.
, vol.34
, pp. 317
-
-
Evans, D.J.1
-
28
-
-
84947409756
-
Singularity free algorithm for molecular dynamics rigid polyatomics
-
Evans, D.J. and Murad, S. (1977) "Singularity free algorithm for molecular dynamics rigid polyatomics", Mol. Phys. 34, 327.
-
(1977)
Mol. Phys.
, vol.34
, pp. 327
-
-
Evans, D.J.1
Murad, S.2
-
31
-
-
0034669465
-
Structure of aqueous solutions of ions and netural solutes at infinite dilution at a supercritical temperature of 683 K
-
Rasaiah, J.C., Noworyta, J.P. and Koneshan, S. (2000) "Structure of aqueous solutions of ions and netural solutes at infinite dilution at a supercritical temperature of 683 K", J. Am. Chem. Soc. 122, 11182.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 11182
-
-
Rasaiah, J.C.1
Noworyta, J.P.2
Koneshan, S.3
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