-
1
-
-
0001412049
-
Molecular dynamics study of methane and xenon in silicalite
-
June, R. L., Bell, A. T., Theodorou, D. N., Molecular dynamics study of methane and xenon in silicalite, J. Phys. Chem., 1990, 94(21): 8232.
-
(1990)
J. Phys. Chem.
, vol.94
, Issue.21
, pp. 8232
-
-
June, R.L.1
Bell, A.T.2
Theodorou, D.N.3
-
2
-
-
33751386259
-
Molecular dynamics simulation of propane and methane in silicalite
-
Nicholas, J. B., Trouw, F. R., Mertz, J. E. et al., Molecular dynamics simulation of propane and methane in silicalite, J. Phys. Chem., 1993, 97(16): 4149.
-
(1993)
J. Phys. Chem.
, vol.97
, Issue.16
, pp. 4149
-
-
Nicholas, J.B.1
Trouw, F.R.2
Mertz, J.E.3
-
3
-
-
32644459158
-
Molecular dynamics studies of Butane and Hexane in silicalite
-
June, R. L., Bell, A. T., Theodorou, D. N., Molecular dynamics studies of Butane and Hexane in silicalite, J. Phys. Chem., 1992, 96(3): 1051.
-
(1992)
J. Phys. Chem.
, vol.96
, Issue.3
, pp. 1051
-
-
June, R.L.1
Bell, A.T.2
Theodorou, D.N.3
-
4
-
-
0000592576
-
Molecular dynamics study of hydrocarbon adsorbed in silicalite
-
Dumount, D., Bougeard, D. A., Molecular dynamics study of hydrocarbon adsorbed in silicalite, Zeolites, 1995, 15: 650.
-
(1995)
Zeolites
, vol.15
, pp. 650
-
-
Dumount, D.1
Bougeard, D.A.2
-
5
-
-
0001004665
-
Molecular dynamics studies of hydrocarbon diffusion in zeolites
-
Catlow, C. R. A., Freeman, C. M., Vessal, B. et al., Molecular dynamics studies of hydrocarbon diffusion in zeolites, J. Chem. Soc. Faraday Trans., 1991, 87(13): 1947.
-
(1991)
J. Chem. Soc. Faraday Trans.
, vol.87
, Issue.13
, pp. 1947
-
-
Catlow, C.R.A.1
Freeman, C.M.2
Vessal, B.3
-
6
-
-
37049106174
-
Adsorption and activation of ethene by zeolite HZSM-5
-
Bolis, V., Vedrine, J. C., van de Berg, J. P. et al., Adsorption and activation of ethene by zeolite HZSM-5, J. Chem. Soc. Faraday Trans., 1980, 76: 1606.
-
(1980)
J. Chem. Soc. Faraday Trans.
, vol.76
, pp. 1606
-
-
Bolis, V.1
Vedrine, J.C.2
Van De Berg, J.P.3
-
7
-
-
0022061217
-
Quantum chemical study of the interaction of ethylene with hydroxyl group of HZSM-5 zeolites
-
Beran, S., Quantum chemical study of the interaction of ethylene with hydroxyl group of HZSM-5 zeolites, J. Molecular Catalysis, 1985, 30: 95.
-
(1985)
J. Molecular Catalysis
, vol.30
, pp. 95
-
-
Beran, S.1
-
8
-
-
11844292864
-
High-temperature (350 K) orthorhombic framework structure of zeolite HZSM-5
-
van Koningsveld, H., High-temperature (350 K) orthorhombic framework structure of zeolite HZSM-5, Acta Crystallgor, 1990, B46: 731.
-
(1990)
Acta Crystallgor
, vol.B46
, pp. 731
-
-
Van Koningsveld, H.1
-
9
-
-
84909796375
-
The location of p-xylene in a new, single crystal of zeolite HZSM-5 with a new, sorbed-induced, orthorhombic framework symmetry
-
van Koningsveld, H., Tuinstra, F., van Bekkum, H. et al., The location of p-xylene in a new, single crystal of zeolite HZSM-5 with a new, sorbed-induced, orthorhombic framework symmetry, Acta Crystallgor., 1989, B45: 423.
-
(1989)
Acta Crystallgor.
, vol.B45
, pp. 423
-
-
Van Koningsveld, H.1
Tuinstra, F.2
Van Bekkum, H.3
-
10
-
-
0025413946
-
The monoclinic framework structure of zeolite HZSM-5. Comparison with the orthorhombic framework of as-synthesized ZSM-5
-
van Koningsveld, H., Jansen, J. C., van Bekkum, H., The monoclinic framework structure of zeolite HZSM-5. Comparison with the orthorhombic framework of as-synthesized ZSM-5, Zeolites, 1990, 10: 235.
-
(1990)
Zeolites
, vol.10
, pp. 235
-
-
Van Koningsveld, H.1
Jansen, J.C.2
Van Bekkum, H.3
-
11
-
-
37049070447
-
Delft molecular mechanics: A new approach to hydrocarbon force field inclusion of geometry-dependent charge calculation
-
van Duin, A. C. T., Bass, J. M. A., van de Graaf, B., Delft molecular mechanics: a new approach to hydrocarbon force field inclusion of geometry-dependent charge calculation, J. Chem. Soc., Faraday Trans., 1994, 90(19): 2881.
-
(1994)
J. Chem. Soc., Faraday Trans.
, vol.90
, Issue.19
, pp. 2881
-
-
Van Duin, A.C.T.1
Bass, J.M.A.2
Van De Graaf, B.3
-
12
-
-
0342876686
-
Electronegativity equalization method for the calculation of atomic charges in molecules
-
Mortier, W. J., Ghosh, S. K., Shankar, S. J., Electronegativity equalization method for the calculation of atomic charges in molecules, J. Am. Chem. Soc., 1986, 108: 4315.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 4315
-
-
Mortier, W.J.1
Ghosh, S.K.2
Shankar, S.J.3
-
13
-
-
33748624611
-
Consistent implementation of the electronegativity equalization method in molecular mechanics and molecular dynamics
-
Smirnov, K. S., van de Graaf, B., Consistent implementation of the electronegativity equalization method in molecular mechanics and molecular dynamics, J. Chem. Soc. Faraday Trans., 1996, 92(13): 2469.
-
(1996)
J. Chem. Soc. Faraday Trans.
, vol.92
, Issue.13
, pp. 2469
-
-
Smirnov, K.S.1
Van De Graaf, B.2
-
14
-
-
0028766166
-
Molecular modeling of the enthalpies of adsorption of hydrocarbons on smectite clay
-
Keldsen, G. L., Nicholas, J. B., Carrado, K. A. et al., Molecular modeling of the enthalpies of adsorption of hydrocarbons on smectite clay, J. Phys. Chem., 1994, 98(1): 279.
-
(1994)
J. Phys. Chem.
, vol.98
, Issue.1
, pp. 279
-
-
Keldsen, G.L.1
Nicholas, J.B.2
Carrado, K.A.3
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