-
1
-
-
34047164512
-
A new clathrate hydrate structure
-
J.A. Ripmeester, J.S. Tse, C.I. Ratcliffe, B.M. Powell. A new clathrate hydrate structure. Nature(London), 325, 135 (1987).
-
(1987)
Nature(London)
, vol.325
, pp. 135
-
-
Ripmeester, J.A.1
Tse, J.S.2
Ratcliffe, C.I.3
Powell, B.M.4
-
2
-
-
30744444394
-
Free-energy calculation of structure-H hydrates
-
Y. Okano, K. Yasuoka. Free-energy calculation of structure-H hydrates. J. Chem. Phys., 124, 024510 (2006).
-
(2006)
J. Chem. Phys
, vol.124
, pp. 024510
-
-
Okano, Y.1
Yasuoka, K.2
-
4
-
-
0021515659
-
Optimized inter-molecular potential functions for liquid hydrocarbons
-
W.L. Jorgensen, J.D. Madura, C.J. Swenson. Optimized inter-molecular potential functions for liquid hydrocarbons. J. Am. Chem. Soc., 106, 6638 (1984).
-
(1984)
J. Am. Chem. Soc
, vol.106
, pp. 6638
-
-
Jorgensen, W.L.1
Madura, J.D.2
Swenson, C.J.3
-
5
-
-
0028516829
-
Structure H hydrate phase equilibria of paraffins, naphthenes, and olefins with methane
-
A.P. Metha, E.D. Sloan, Structure H hydrate phase equilibria of paraffins, naphthenes, and olefins with methane. J. Chem. Eng. Data., 39, 887 (1994).
-
(1994)
J. Chem. Eng. Data
, vol.39
, pp. 887
-
-
Metha, A.P.1
Sloan, E.D.2
-
6
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
W.L. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, 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.D.3
Impey, R.W.4
Klein, M.L.5
-
7
-
-
0141754037
-
Hardware accelerator for molecular dynamics: MDG-RAPE-2
-
R. Susukita, T. Ebisuzaki, B.G. Elmegreen, H. Furusawa, K. Kato, A. Kawai, Y. Kobayashi, T. Koishi, G.D. McNien, T. Narumi, K. Yasuoka. Hardware accelerator for molecular dynamics: MDG-RAPE-2. Comput. Phys. Commun., 155, 115 (2003).
-
(2003)
Comput. Phys. Commun
, vol.155
, pp. 115
-
-
Susukita, R.1
Ebisuzaki, T.2
Elmegreen, B.G.3
Furusawa, H.4
Kato, K.5
Kawai, A.6
Kobayashi, Y.7
Koishi, T.8
McNien, G.D.9
Narumi, T.10
Yasuoka, K.11
-
9
-
-
33646940952
-
Numerical integration of the Cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes
-
J.P. Ryckaert, G. Ciccotti, H.J.C. Berendsen. Numerical integration of the Cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes. J. Comput. Phys., 23, 327 (1977).
-
(1977)
J. Comput. Phys
, vol.23
, pp. 327
-
-
Ryckaert, J.P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
10
-
-
36749107785
-
Molecular dynamics at constant pressure and/or temperature
-
H.C. Andersen. Molecular dynamics at constant pressure and/or temperature. J. Chem. Phys., 72, 2384 (1980).
-
(1980)
J. Chem. Phys
, vol.72
, pp. 2384
-
-
Andersen, H.C.1
-
11
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, A. DiNola, J.R. Haak. Molecular dynamics with coupling to an external bath. J. Chem. Phys., 81, 3684 (1984).
-
(1984)
J. Chem. Phys
, vol.81
, pp. 3684
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
van Gunsteren, W.F.3
DiNola, A.4
Haak, J.R.5
|