-
2
-
-
36949017804
-
-
Ahlström, P.; Wallqvist, A.; Engström, S.; Jönsson, B. Mol. Phys. 1989, 68, 563.
-
(1989)
Mol. Phys.
, vol.68
, pp. 563
-
-
Ahlström, P.1
Wallqvist, A.2
Engström, S.3
Jönsson, B.4
-
3
-
-
0039481069
-
-
Cieplak, P.; Kollman, P.; Lybrand, T. J. Chem. Phys. 1992, 97, 13841.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 13841
-
-
Cieplak, P.1
Kollman, P.2
Lybrand, T.3
-
5
-
-
36448999850
-
-
Rick, S. W.; Stuart, S. J.; Berne, B. J. J. Chem. Phys. 1994, 101, 6141.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 6141
-
-
Rick, S.W.1
Stuart, S.J.2
Berne, B.J.3
-
7
-
-
0000298606
-
-
Svishchev, I. M.; Kusalick, P. G.; Wang, J.; Boyd, R. J. J. Chem. Phys. 1996, 105, 4742.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 4742
-
-
Svishchev, I.M.1
Kusalick, P.G.2
Wang, J.3
Boyd, R.J.4
-
8
-
-
26544447599
-
-
Laasonen, K.; Sprik, M.; Parrinello, M. Chem. Phys. Lett. 1993, 99, 9080.
-
(1993)
Chem. Phys. Lett.
, vol.99
, pp. 9080
-
-
Laasonen, K.1
Sprik, M.2
Parrinello, M.3
-
9
-
-
0001723472
-
-
Sprik, M.; Hutter, J.; Parrinello, M. J. Chem. Phys. 1996, 105, 1142.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 1142
-
-
Sprik, M.1
Hutter, J.2
Parrinello, M.3
-
12
-
-
0002775934
-
-
Pullman, B., Ed.; Reidel: Dordrecht
-
Berendsen, H. J. C.; Postma, J. P. M.; von Gunsteren, W. F.; Hermans, J. Intermolecular Forces; Pullman, B., Ed.; Reidel: Dordrecht, 1981; p 331.
-
(1981)
Intermolecular Forces
, pp. 331
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Von Gunsteren, W.F.3
Hermans, J.4
-
13
-
-
1242346370
-
-
Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269.
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 6269
-
-
Berendsen, H.J.C.1
Grigera, J.R.2
Straatsma, T.P.3
-
14
-
-
0004016501
-
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. J. Chem. Phys. 1983, 79, 926.
-
(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
-
19
-
-
3943092257
-
-
Panagiotopoulos, A. Z.; Quirke, N.; Stapleton, M.; Tildesley, D. J. Mol. Phys. 1988, 63, 527.
-
(1988)
J. Mol. Phys.
, vol.63
, pp. 527
-
-
Panagiotopoulos, A.Z.1
Quirke, N.2
Stapleton, M.3
Tildesley, D.4
-
20
-
-
3943049710
-
-
Smit, B.; de Smedt, Ph.; Frenkel, D. Mol. Phys. 1989, 68, 931.
-
(1989)
Mol. Phys.
, vol.68
, pp. 931
-
-
Smit, B.1
De Smedt, Ph.2
Frenkel, D.3
-
21
-
-
36549090996
-
-
de Pablo, J. J.; Prausnitz, J. M.; Strauch, H. J.; Cummings, P. T. J. Chem. Phys. 1990, 93, 7355.
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 7355
-
-
De Pablo, J.J.1
Prausnitz, J.M.2
Strauch, H.J.3
Cummings, P.T.4
-
26
-
-
1542276274
-
-
Martin, M. G.; Chen, B.; Siepmann, J. I. J. Chem. Phys. 1998, 108, 3383.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 3383
-
-
Martin, M.G.1
Chen, B.2
Siepmann, J.I.3
-
30
-
-
36549091486
-
-
Saboungi, M.-L.; Rahman, A.; Halley, J. W.; Blander, M. J. Chem. Phys. 1988, 88, 5818.
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 5818
-
-
Saboungi, M.-L.1
Rahman, A.2
Halley, J.W.3
Blander, M.4
-
32
-
-
0039835159
-
-
27 Similar problems are encountered in Car-Parrinello molecular dynamics (Bornemann, F. A.; Schütte, C. Numer. Math. 1998, 78, 359).
-
(1998)
Numer. Math.
, vol.78
, pp. 359
-
-
Bornemann, F.A.1
Schütte, C.2
-
40
-
-
0003852819
-
-
Butterworth Scientific Publications: London
-
Rowlinson, J. S. Liquids and Liquids Mixtures; Butterworth Scientific Publications: London, 1959; p 60.
-
(1959)
Liquids and Liquids Mixtures
, pp. 60
-
-
Rowlinson, J.S.1
-
42
-
-
36449008627
-
-
Alejandre, J.; Tildesley, D. J.; Chapela, G. A. J. Chem. Phys. 1995, 102, 4574.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 4574
-
-
Alejandre, J.1
Tildesley, D.J.2
Chapela, G.A.3
-
43
-
-
0032484752
-
-
Boulougouris, G. C.; Economou, J. G.; Theodorou, D. N. J. Phys. Chem. B 1998, 102, 1029.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 1029
-
-
Boulougouris, G.C.1
Economou, J.G.2
Theodorou, D.N.3
-
44
-
-
0032172846
-
-
Errington, J. R.; Kiyohara, K.; Gubbins, K. E.; Panogiotopoulos, A. Z. Fluid Phase Equilib. 1998, 150, 33.
-
(1998)
Fluid Phase Equilib.
, vol.150
, pp. 33
-
-
Errington, J.R.1
Kiyohara, K.2
Gubbins, K.E.3
Panogiotopoulos, A.Z.4
-
45
-
-
0347186128
-
-
note
-
In principle, ANES-MC can also be used for Gibbs ensemble simulations with a neutrality constraint on each phase. In this case, a swap move has to involve the transfer of a randomly selected molecule and the transfer of a counter charge randomly taken from the same phase.
-
-
-
-
51
-
-
0000782351
-
-
Chen, B.; Xing, J.; Siepmann, J. I. J. Phys. Chem. B 2000, 104, 2391.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 2391
-
-
Chen, B.1
Xing, J.2
Siepmann, J.I.3
-
52
-
-
0346556167
-
-
NIST Chemistry WebBook
-
NIST Chemistry WebBook. http://webbook.nist.gov/chemistry.
-
-
-
|