-
2
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
Berendsen, H.J.C., Postma, J.P.M., van Gunsteren, W.F., DiNola, A. and Haak, J.R., 1984. Molecular dynamics with coupling to an external bath. J. Chem. Phys., 81: 3684-3690.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
DiNola, A.4
Haak, J.R.5
-
5
-
-
0026868730
-
Vapor-liquid equilibria for polyatomic fluids from site-site computer simulations: Pure hydrocarbons and binary mixtures containing methane
-
De Pablo, J.J., Bonnin, M. and Prausnitz, J.M., 1992. Vapor-liquid equilibria for polyatomic fluids from site-site computer simulations: pure hydrocarbons and binary mixtures containing methane. Fluid Phase Equilibria, 73: 187-210.
-
(1992)
Fluid Phase Equilibria
, vol.73
, pp. 187-210
-
-
De Pablo, J.J.1
Bonnin, M.2
Prausnitz, J.M.3
-
6
-
-
0003742035
-
-
Thermophysical Division, NIST, Gaithersburg
-
Gallagher, J., McLinden, M., Morrison, G. and Huber, M., 1993. Thermodynamic Properties of Refrigerants and Refrigerants Mixtures Database (REFPROP). Thermophysical Division, NIST, Gaithersburg.
-
(1993)
Thermodynamic Properties of Refrigerants and Refrigerants Mixtures Database (REFPROP)
-
-
Gallagher, J.1
McLinden, M.2
Morrison, G.3
Huber, M.4
-
7
-
-
84986437140
-
Derivation of fluorine and hydrogen atom parameters using liquid simulations
-
Gough, C.A., DeBolt, S.E. and Kollman, P.A., 1992. Derivation of fluorine and hydrogen atom parameters using liquid simulations. J. Comput. Chem., 8: 963-970.
-
(1992)
J. Comput. Chem.
, vol.8
, pp. 963-970
-
-
Gough, C.A.1
DeBolt, S.E.2
Kollman, P.A.3
-
8
-
-
0001296710
-
Calculations of the relative free energies of aqueous solvation of several fluorocarbons: A test of the bond potential of mean force correction
-
Gough, C.A., Pearlman, D.A. and Kollman, P.A., 1993. Calculations of the relative free energies of aqueous solvation of several fluorocarbons: A test of the bond potential of mean force correction. J. Chem. Phys., 99: 9103-9110.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 9103-9110
-
-
Gough, C.A.1
Pearlman, D.A.2
Kollman, P.A.3
-
9
-
-
0027539778
-
Applications of molecular simulation
-
Gubbins, K.E., 1993. Applications of molecular simulation. Fluid Phase Equilibria, 83: 1-14.
-
(1993)
Fluid Phase Equilibria
, vol.83
, pp. 1-14
-
-
Gubbins, K.E.1
-
10
-
-
0001190805
-
Computer modeling of liquid propane using three-site potential models
-
Gupta, S., Yang, J. and Kestner, N.R., 1988. Computer modeling of liquid propane using three-site potential models. J. Chem. Phys., 89: 3733-3741.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 3733-3741
-
-
Gupta, S.1
Yang, J.2
Kestner, N.R.3
-
11
-
-
0001010885
-
Representation of van der Waals (vdW) interactions in molecular mechanics force fields: Potential form, combination rules, and vdW parameters
-
Halgren, T.A., 1992. Representation of van der Waals (vdW) interactions in molecular mechanics force fields: Potential form, combination rules, and vdW parameters. J. Am. Chem. Soc., 114: 7827-7843.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 7827-7843
-
-
Halgren, T.A.1
-
12
-
-
36749120022
-
Theory of intermolecular pair correlations for molecular liquids. Applications to the liquids carbon tetrachloride, carbon disulfide, carbon diselenide, and benzene
-
Lowden, L.J. and Chandler, D., 1974. Theory of intermolecular pair correlations for molecular liquids. Applications to the liquids carbon tetrachloride, carbon disulfide, carbon diselenide, and benzene. J. Chem. Phys., 61: 5228-5241.
-
(1974)
J. Chem. Phys.
, vol.61
, pp. 5228-5241
-
-
Lowden, L.J.1
Chandler, D.2
-
13
-
-
0028768237
-
An effective triplet potential for argon
-
Miyano, Y., 1994. An effective triplet potential for argon. Fluid Phase Equilibria, 95: 31-41.
-
(1994)
Fluid Phase Equilibria
, vol.95
, pp. 31-41
-
-
Miyano, Y.1
-
14
-
-
0004804182
-
Effective Axilrod-Teller interaction in van der Waals gases and liquids
-
Stenschke, H., 1994. Effective Axilrod-Teller interaction in van der Waals gases and liquids. J. Chem. Phys., 100: 4704-4705.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 4704-4705
-
-
Stenschke, H.1
-
15
-
-
0000337544
-
Effective potentials for liquid water using polarizable and nonpolarizable models
-
Wallqvist, A. and Berne, B.J., 1993. Effective potentials for liquid water using polarizable and nonpolarizable models. J. Phys. Chem., 97: 13841-13851.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 13841-13851
-
-
Wallqvist, A.1
Berne, B.J.2
|