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Publications in 1997
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A Monte Carlo study of CO oxidation with oscillations induced
by site blocking. A.P.J. Jansen and R.M. Nieminen, J. Chem.
Phys. 106(5), 2038-2044 (1997)
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Density functional study of acetylene and ethylene adsorption
on Ni (111). A. Fahmi and R.A. van Santen, Surf. Sci. 371(2),
53-62 (1997)
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Theoretical study of the mechanism of surface methoxy and dimethyl
ether formation from methanol catalyzed by zeolitic protons. S.R.
Blaszkowski and R.A. van Santen, J. Phys. Chem. B 101(13),
2292-2305 (1997)
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Quantum chemical studies of zeolite proton catalyzed reactions.
S.R. Blaszkowski and R.A. van Santen, Topics in Catalysis 4,
145-156 (1997)
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Methanol adsorption and activation by zeolitic protons. S.R.
Blaszkowski and R.A. van Santen in: H. Chon, S.-K. Ihm and
Y.S. Uh (Eds.), Progress in Zeolite and Microporous Materials,
Stud. Surf. Sci. and Catal. 105 1707-1714 (1997)
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Oscillatory temporal behavior in an autocatalytic surface reaction.
J.-P. Hovi, A.P.J Jansen and R.M. Nieminen, Phys. Rev. E 55(4),
4170-4178 (1997)
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Monte Carlo simulations of oscillations. A.P.J. Jansen, J.
Mol. Catal. A: Chemical 119, 125-134 (1997)
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An introduction to molecular heterogeneous catalysis. R.A.
van Santen and R.J. Gelten in: C.R.A. Catlow, A. Cheetham (Eds.),
New Trends in Materials Chemistry, Kluwer, 345-362 (1997)
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Monte Carlo simulations of surface reactions. R.M.Nieminen
and A.P.J. Jansen, Appl. Cat. A.: General 160, 99-123
(1997)
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Computational study of zeolitic-proton-palladium chemistry.
R. Harmsen, S.P. Bates, and R.A. van Santen, Faraday Discuss.
106, 443-450 (1997)
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Al quadrupole interaction in zeolites loaded with probe molecules
- a quantum-chemical study of trends in electric field gradients and
chemical bonds in clusters. H. Koller, E.L Meijer, and R.A. van
Santen, Solid State Nuclear Magnetic Resonance 9, 165-175
(1997)
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A quantum-chemical study of hydride transfer in catalytic transformations
of paraffins on zeolites. Pathways through adsorbed non-classical
carbonium ions. V.B. Kazansky, M.V. Frash, and R.A. van Santen,
Catal. Lett. 48, 61-67 (1997)
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The chemical nature of atomic oxygen adsorbed on Rh(111) and Pt(111):
a density functional study. M. Chen, S.P. Bates, R.A. van Santen,
and C.M. Friend, J. Phys. Chem. 101(48), 10051-10057
(1997)
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Quantum-chemical study of hydride transfer in catalytic transformation
on zeolites. V.B. Kazansky, M.V. Frash, and R.A. van Santen, Stud.
Surf. Sci. Catal. 105, 2283 (1997)
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The molecular basis of zeolite catalysis, a review of theoretical
simulations. S.P. Bates and R.A. van Santen, Adv. Catal.
(1997).
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Mechanism of hydrocarbon conversion in zeolites: A quantum mechanical
study. A.M. Rigby, G.J. Kramer and R.A. van Santen, J. Catal.
170, 1 (1997)
- Molecular kinetics of heterogeneous catalytic reactions. R.A.
Santen, A. v.d. Runstraat and R. J. Gelten, Stud. Surf. Sci. and
Catal. 109, 61 (1997)
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