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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 67, 1989 - Issue 5
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Original Articles

Disorder in the pseudohexagonal rotator phase of n-alkanes: molecular-dynamics calculations for tricosane

Jean-Paul Ryckaert Pool de Physique, C.P. 223, Université Libre de Bruxelles, 1050, Bruxelles, Belgium
,
Ian R. McDonald Department of Physical Chemistry, University of Cambridge, Cambridge, CB2 1EP, England
&
Michael L. Klein Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania, 19104-6323, U.S.A.
Pages 957-979 | Received 07 Oct 1988, Accepted 20 Jan 1989, Published online: 23 Aug 2006

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Prabir K. Mukherjee. (2012) Fluctuation-driven first-order crystal to rotator phase transition. Philosophical Magazine Letters 92:4, pages 160-165.
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FABIEN PORCHERON, BERNARD ROUSSEAU & ALAINH. FUCHS. (2002) Structure of ultra-thin confined alkane films from Monte Carlo simulations. Molecular Physics 100:13, pages 2109-2119.
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Susumu Fujiwara & Tetsuya Sato. (1999) Molecular Dynamics Study of the Structural Formation of Short Chain Molecules: Structure and Molecular Mobility. Molecular Simulation 21:5-6, pages 271-281.
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Song Hi Lee & PeterT. Cummings. (1998) The Rheology of n-Decane and 4-Propyl Heptane by Non Equilibrium Molecular Dynamics Simulations. Molecular Simulation 21:1, pages 27-39.
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By J. ILJA SIEPMANN & MARCUS G. MARTIN. (1997) Intermolecular potentials for branched alkanes and the vapour-liquid phase equilibria of n-heptane, 2-methylhexane, and 3-ethylpentane. Molecular Physics 90:5, pages 687-694.
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Song Hi Lee & PeterT. Cummings. (1996) The Rheology of n-Butane and i-Butane by Non-Equilibrium Molecular Dynamics Simulations. Molecular Simulation 16:4-6, pages 229-247.
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Jean-Paul Ryckaert, MichaelL. Klein & IanR. McDonald. (1994) Computer simulations and the interpretation of incoherent neutron scattering experiments on the solid rotator phases of long-chain alkanes. Molecular Physics 83:3, pages 439-458.
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JuanJ. de Pablo, Manuel Laso, J. Ilja Siepmann & UlrichW. Suter. (1993) Continuum-configurational-bias Monte Carlo simulations of long-chain alkanes. Molecular Physics 80:1, pages 55-63.
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TerryR. Stouch. (1993) Lipid Membrane Structure and Dynamics Studied by All-Atom Molecular Dynamics Simulations of Hydrated Phospholipid Bilayers. Molecular Simulation 10:2-6, pages 335-362.
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J. Ilja Siepmann & IanR. McDonald. (1993) Monte Carlo study of the properties of self-assembled monolayers formed by adsorption of CH3(CH2)15SH on the (111) surface of gold. Molecular Physics 79:3, pages 457-473.
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S. Leggetter & D.J. Tildesley. (1989) The computer simulation of adsorbed hydrocarbons. Molecular Physics 68:3, pages 519-546.
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