-
1
-
-
0000583785
-
Can molecular simulations be used to predict adsorption on activated carbons?
-
V.Y. Gusev, J.A. O'Brien. Can molecular simulations be used to predict adsorption on activated carbons?. Langmuir, 13, 2822 (1997).
-
(1997)
Langmuir
, vol.13
, pp. 2822
-
-
Gusev, V.Y.1
O'Brien, J.A.2
-
3
-
-
0001302303
-
'Liquid-Vapour' density profiles for fluids in pores from density functional theory
-
S. Sokolowski, J. Fischer. 'Liquid-Vapour' density profiles for fluids in pores from density functional theory. J. Chem. Soc. Faraday Trans., 89, 789 (1993).
-
(1993)
J. Chem. Soc. Faraday Trans.
, vol.89
, pp. 789
-
-
Sokolowski, S.1
Fischer, J.2
-
4
-
-
0000128073
-
On the application of Widom's test particle method to homogeneous and inhomogeneous fluids
-
U. Heinbuch, J. Fischer. On the application of Widom's test particle method to homogeneous and inhomogeneous fluids. Mol. Simul., 1, 109 (1987).
-
(1987)
Mol. Simul.
, vol.1
, pp. 109
-
-
Heinbuch, U.1
Fischer, J.2
-
5
-
-
0001297662
-
Liquid flow in pores slip, no-slip or multilayer-sticking?
-
U. Heinbuch, J. Fischer. Liquid flow in pores slip, no-slip or multilayer-sticking?. Phys. Rev., A40, 1144 (1989).
-
(1989)
Phys. Rev.
, vol.A40
, pp. 1144
-
-
Heinbuch, U.1
Fischer, J.2
-
6
-
-
0348196686
-
Change of free energy during adsorption of a molecule
-
W. Billes, F. Bazant-Hegemark, M. Mecke, M. Wendland, J. Fischer. Change of free energy during adsorption of a molecule. Langmuir, 19, 10862 (2003).
-
(2003)
Langmuir
, vol.19
, pp. 10862
-
-
Billes, W.1
Bazant-Hegemark, F.2
Mecke, M.3
Wendland, M.4
Fischer, J.5
-
7
-
-
0034636565
-
Molecular dynamics study of water-benzene interactions at the liquid/vapor interface of water
-
L.X. Dang, D. Feller. Molecular dynamics study of water-benzene interactions at the liquid/vapor interface of water. J. Phys. Chem. B., 104, 4403 (2000).
-
(2000)
J. Phys. Chem. B.
, vol.104
, pp. 4403
-
-
Dang, L.X.1
Feller, D.2
-
8
-
-
33644569446
-
-
J. Kolafa, http://www.vscht.cz/fch/software/macsimus
-
-
-
Kolafa, J.1
-
9
-
-
0041784950
-
All-atom empirical potential for molecular modeling and dynamics studies of proteins
-
A.D. MacKerell, et al. All-atom empirical potential for molecular modeling and dynamics studies of proteins. J. Phys. Chem. B., 102, 3586 (1998).
-
(1998)
J. Phys. Chem. B.
, vol.102
, pp. 3586
-
-
MacKerell, A.D.1
-
11
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
W.L. Jorgensen, J. Chandrasekhar, J. Madura, R.W. Imprey, M.L. Klein. Comparison of simple potential functions for simulating liquid water. J. Chem. Phys., 79, 926 (1983).
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.3
Imprey, R.W.4
Klein, M.L.5
-
13
-
-
0000269359
-
Molecular dynamics simulation of contact angles of water droplets in carbon nanotubes
-
T. Werder, J.H. Walther, R.L. Jaffe, T. Halicioglu, F. Noca, P. Koumoutsakos. Molecular dynamics simulation of contact angles of water droplets in carbon nanotubes. Nano Lett., 12, pp. 697 (2001).
-
(2001)
Nano Lett.
, vol.12
, pp. 697
-
-
Werder, T.1
Walther, J.H.2
Jaffe, R.L.3
Halicioglu, T.4
Noca, F.5
Koumoutsakos, P.6
-
14
-
-
0032627164
-
Molecular modelling of the adsorption of aromatic and aromatic sulfonate molecules from aqueous solutions onto graphite
-
A.R. O'Dea, R.St.C. Smart, A.R. Gerson. Molecular modelling of the adsorption of aromatic and aromatic sulfonate molecules from aqueous solutions onto graphite. Carbon, 37, 1133 (1999).
-
(1999)
Carbon
, vol.37
, pp. 1133
-
-
O'Dea, A.R.1
Smart, R.St.C.2
Gerson, A.R.3
-
15
-
-
0029220084
-
The adsorption of anionic naphthalene derivatives at the graphite-aqueous solution interface
-
B.S. Kim, A. Hayes, J. Ralston. The adsorption of anionic naphthalene derivatives at the graphite-aqueous solution interface. Carbon, 33, 25 (1995).
-
(1995)
Carbon
, vol.33
, pp. 25
-
-
Kim, B.S.1
Hayes, A.2
Ralston, J.3
|