-
1
-
-
0000142324
-
Molecular dynamics simulations of PVP kinetic inhibitor in liquid water and hydrate/liquid water systems
-
B. Kvamme, G. Huseby, O.K. Førrisdahl. Molecular dynamics simulations of PVP kinetic inhibitor in liquid water and hydrate/liquid water systems. Mol. Phys., 90, 979 (1997).
-
(1997)
Mol. Phys.
, vol.90
, pp. 979
-
-
Kvamme, B.1
Huseby, G.2
Førrisdahl, O.K.3
-
2
-
-
4243520855
-
Characteristics of the (III) growth planes of a type II gas hydrate and study of the mechanism of kinetic inhibition by poly(vinylpyrrolidone)
-
Toulose, France, June 2-6
-
T. Carver, M. Drew, P. Rodger. Characteristics of the (III) growth planes of a type II gas hydrate and study of the mechanism of kinetic inhibition by poly(vinylpyrrolidone) Proceedings of the Second International Conference on Natural Gas Hydrates, Toulose, France, June 2-6 pp. 319 (1996).
-
(1996)
Proceedings of the Second International Conference on Natural Gas Hydrates
, pp. 319
-
-
Carver, T.1
Drew, M.2
Rodger, P.3
-
3
-
-
33748622829
-
Characterisation of the (III) growth planes of a type II gas hydrate and study of the mechanism of kinetic inhibition by poly(vinylpyrrolidone)
-
T. Carver, M. Drew, P. Rodger. Characterisation of the (III) growth planes of a type II gas hydrate and study of the mechanism of kinetic inhibition by poly(vinylpyrrolidone). Faraday Trans., 92, 5029 (1996).
-
(1996)
Faraday Trans.
, vol.92
, pp. 5029
-
-
Carver, T.1
Drew, M.2
Rodger, P.3
-
4
-
-
1042299833
-
Kinetic inhibitors of hydrate crystallization
-
T.M. Storr, P.C. Taylor, J.-P. Monfort, P.M. Rodger. Kinetic inhibitors of hydrate crystallization. J. Am. Chem. Soc., 126, 1569 (2004).
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 1569
-
-
Storr, T.M.1
Taylor, P.C.2
Monfort, J.-P.3
Rodger, P.M.4
-
5
-
-
0003052141
-
Feste gashydrate II: Structur und raumchemie
-
M. von Stackelberg, H.R. Müller. Feste gashydrate II: structur und raumchemie. Z. Elektrochem., 58, 25 (1954).
-
(1954)
Z. Elektrochem.
, vol.58
, pp. 25
-
-
Von Stackelberg, M.1
Müller, H.R.2
-
7
-
-
0004016501
-
-
W. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, M.L. Klein. J. Chem. Phys., 79, 926 (1983).
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926
-
-
Jorgensen, W.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
9
-
-
0001400544
-
2O - Aqueous systems
-
2O - aqueous systems. Comput. Phys., 42, 271 (1986).
-
(1986)
Comput. Phys.
, vol.42
, pp. 271
-
-
Laaksonen, A.1
-
10
-
-
0004067382
-
-
B. Pullman (Ed.), Reidel, Dordrecht
-
H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, J. Hermans. In Intermolecular Forces, B. Pullman (Ed.), Reidel, Dordrecht (1981).
-
(1981)
Intermolecular Forces
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Hermans, J.4
-
11
-
-
0021515659
-
Optimized intermolecular potential functions for liquid hydrocarbons
-
W.L. Jorgensen, J.D. Madura, C.J. Swenson. Optimized intermolecular 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
-
12
-
-
0007818845
-
Investigation of structure, dynamics, and solvation in 1-octanol and its water-saturated solution-molecular-dynamics and free-energy perturbation studies
-
S.E. DeBolt, P.A. Kollman. Investigation of structure, dynamics, and solvation in 1-octanol and its water-saturated solution-molecular-dynamics and free-energy perturbation studies. J. Am. Chem. Soc., 117, 53165340.
-
J. Am. Chem. Soc.
, vol.117
, pp. 53165340
-
-
DeBolt, S.E.1
Kollman, P.A.2
-
13
-
-
0025275903
-
Molecular-dynamics simulation study of associations in aqueous-solutions of quinuclidine
-
A. Maliniak, A. Laaksonen, J. Korppitommola. Molecular-dynamics simulation study of associations in aqueous-solutions of quinuclidine. J. Am. Chem. Soc., 112, 86 (1990).
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 86
-
-
Maliniak, A.1
Laaksonen, A.2
Korppitommola, J.3
-
15
-
-
36549097979
-
Molecular-dynamics calculation of the equation of state of alkanes
-
S. Toxvaerd. Molecular-dynamics calculation of the equation of state of alkanes. J. Chem. Phys., 93, 4290 (1990).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 4290
-
-
Toxvaerd, S.1
-
16
-
-
0034206682
-
DynaMix - A scalable portable parallel MD simulation package for arbitrary molecular mixtures
-
A.P. Lyubartsev, A.M. Laaksonen. DynaMix - a scalable portable parallel MD simulation package for arbitrary molecular mixtures. Comput. Phys. Commun., 128, 565 (2000).
-
(2000)
Comput. Phys. Commun.
, vol.128
, pp. 565
-
-
Lyubartsev, A.P.1
Laaksonen, A.M.2
-
17
-
-
36449003554
-
Constant-pressure molecular-dynamics algorithms
-
G.J. Martyna, D.J. Tobias, M.L. Klein. Constant-pressure molecular-dynamics algorithms. J. Chem. Phys., 101, 4177 (1994).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 4177
-
-
Martyna, G.J.1
Tobias, D.J.2
Klein, M.L.3
-
18
-
-
0003036862
-
Constant temperature molecular-dynamics methods
-
S. Nosé. Constant temperature molecular-dynamics methods. Prog. Theor. Phys. Suppl., 103, 1 (1991).
-
(1991)
Prog. Theor. Phys. Suppl.
, vol.103
, pp. 1
-
-
Nosé, S.1
-
19
-
-
0001538909
-
Canonical dynamics-equilibrium phase-space distributions
-
W.G. Hoover. Canonical dynamics-equilibrium phase-space distributions. Phys. Rev. A, 31, 1695 (1985).
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695
-
-
Hoover, W.G.1
-
20
-
-
53549097388
-
Leapfrog rotational algorithms
-
D. Fincham. Leapfrog rotational algorithms. Mol. Simul., 8, 165 (1992).
-
(1992)
Mol. Simul.
, vol.8
, pp. 165
-
-
Fincham, D.1
-
22
-
-
0030111508
-
Effective kinetic inhibitors for natural gas hydrates
-
J.P. Lederhos, J.P. Long, A. Sum, R.L. Christiansen, E.D. Sloan. Effective kinetic inhibitors for natural gas hydrates. Chem. Eng. Sci., 51, 1221 (1996).
-
(1996)
Chem. Eng. Sci.
, vol.51
, pp. 1221
-
-
Lederhos, J.P.1
Long, J.P.2
Sum, A.3
Christiansen, R.L.4
Sloan, E.D.5
-
23
-
-
0001639844
-
Simulation of the hard-sphere crystal-melt interface
-
R.L. Davidchack, B.B. Laird. Simulation of the hard-sphere crystal-melt interface. J. Chem. Phys., 108, 9452 (1998).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 9452
-
-
Davidchack, R.L.1
Laird, B.B.2
-
24
-
-
0037045180
-
Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces
-
T. Bryk, A.D.J. Haymet. Ice 1h/water interface of the SPC/E model: molecular dynamics simulations of the equilibrium basal and prism interfaces. J. Chem. Phys., 117, 10258 (2002).
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 10258
-
-
Bryk, T.1
Haymet, A.D.J.2
|