-
1
-
-
0004067382
-
-
Pullman B. (Ed), Reidel, Dordrecht
-
Berendsen H.J.C., Postma J.P.M., van Gunsteren W.F., and Hermans J. In: Pullman B. (Ed). Intermolecular Forces (1981), Reidel, Dordrecht
-
(1981)
Intermolecular Forces
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
van Gunsteren, W.F.3
Hermans, J.4
-
2
-
-
13444281787
-
Carbon dioxides liquid-vapor coexistence curve and critical properties as predicted by a simple molecular-model
-
Harris J.G., and Yung K.H. Carbon dioxides liquid-vapor coexistence curve and critical properties as predicted by a simple molecular-model. J. Phys. Chem. 99 (1995) 12021-12024
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 12021-12024
-
-
Harris, J.G.1
Yung, K.H.2
-
3
-
-
0034206682
-
DynaMix-A scalable portable parallel MD simulation package for arbitrary molecular mixtures
-
Lyubartsev A.P., and Laaksonen A.M. DynaMix-A scalable portable parallel MD simulation package for arbitrary molecular mixtures. Comput. Phys. Comm. 128 (2000) 565-589
-
(2000)
Comput. Phys. Comm.
, vol.128
, pp. 565-589
-
-
Lyubartsev, A.P.1
Laaksonen, A.M.2
-
4
-
-
36449003554
-
Constant-pressure molecular-dynamics algorithms
-
Martyna G.J., Tobias D.J., and Klein M.L. Constant-pressure molecular-dynamics algorithms. J. Chem. Phys. 101 (1994) 4177-4189
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 4177-4189
-
-
Martyna, G.J.1
Tobias, D.J.2
Klein, M.L.3
-
5
-
-
0003036862
-
Constant temperature molecular-dynamics methods
-
Nosé S. Constant temperature molecular-dynamics methods. Progr. Theoret. Phys. Suppl. 103 (1991) 1-46
-
(1991)
Progr. Theoret. Phys. Suppl.
, vol.103
, pp. 1-46
-
-
Nosé, S.1
-
6
-
-
0001538909
-
Canonical dynamics-Equilibrium phase-space distributions
-
Hoover W.G. Canonical dynamics-Equilibrium phase-space distributions. Phys. Rev. A 31 (1985) 1695-1697
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695-1697
-
-
Hoover, W.G.1
-
7
-
-
53549097388
-
Leapfrog rotational algorithms
-
Fincham D. Leapfrog rotational algorithms. Mol. Simul. 8 (1992) 165-178
-
(1992)
Mol. Simul.
, vol.8
, pp. 165-178
-
-
Fincham, D.1
-
8
-
-
0037045180
-
Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces
-
Bryk T., and Haymet A.D.J. Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces. J. Chem. Phys. 117 (2002) 10258-10268
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 10258-10268
-
-
Bryk, T.1
Haymet, A.D.J.2
-
10
-
-
0003052141
-
Feste gashydrate II: Structur und raumchemie
-
von Stackelberg M., and Müller H.R. Feste gashydrate II: Structur und raumchemie. Z. Elektrochem. 58 (1954) 25-39
-
(1954)
Z. Elektrochem.
, vol.58
, pp. 25-39
-
-
von Stackelberg, M.1
Müller, H.R.2
-
12
-
-
0036836445
-
Reappraisal of what we have learned during three decades of computer simulation of water
-
Guillot B.A. Reappraisal of what we have learned during three decades of computer simulation of water. J. Mol. Liq. 101 (2002) 219-260
-
(2002)
J. Mol. Liq.
, vol.101
, pp. 219-260
-
-
Guillot, B.A.1
-
13
-
-
0031701582
-
Importance of polarizaion effects in modeling the hydrogen bond in water using classical molecular dynamics techniques
-
Dang L.X. Importance of polarizaion effects in modeling the hydrogen bond in water using classical molecular dynamics techniques. J. Phys. Chem. 102 (1998) 620-624
-
(1998)
J. Phys. Chem.
, vol.102
, pp. 620-624
-
-
Dang, L.X.1
|