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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 6940-6942 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report molecular dynamics simulations of n-butane at the B1 state point of Ryckaert and Bellemans [Chem. Phys. Lett. 30, 23 (1975); Discuss. Chem. Soc. 6, 695 (1978)]. The results confirm those of Edberg et al. (preceding paper) in that we found 58.5±1.0% of the molecules in the trans state as opposed to the value of 54% reported by Ryckaert and Bellemans.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Physical Chemistry 37 (1986), S. 245-270 
    ISSN: 0066-426X
    Source: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 43 (1986), S. 621-643 
    ISSN: 1572-9613
    Keywords: Wetting transition ; exact solution ; random walk ; S.O.S. model
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A model of a binary mixture, showing a wetting transition, is examined. No prewetting phenomena are found. The scaling functions are obtained for the film thickness and for the correlation lengths.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 46 (1987), S. 179-190 
    ISSN: 1572-9613
    Keywords: Dipoles ; boundary conditions ; electrostatics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A microscopic derivation using the average Maxwell electric field is given for fluctuation formulas for the dielectric constant of a simulation sample for both periodic and reaction field boundary conditions. The reaction field case is for a spherical cavity reaction field. The derivations put both boundary conditions on an equal footing of microscopic theory and the only nonrigorous part of the derivation is the assumption that the region used to average the electric field is large enough. The fluctuation formula for reaction field boundary conditions is rather different from that used heretofore. The method is applied to a subregion of an isolated spherical system.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 50 (1988), S. 813-838 
    ISSN: 1572-9613
    Keywords: Spherical model ; Coulombic systems ; correlation function decay ; Stillinger-Lovett relations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We consider simple cubic lattice systemsΛ ind dimensions with a continuous real charge variableq(n) at each lattice siten. These variables are subject t'o a mean spherical constraint forcing 〈∑n∈Λ q 2(n)〉=‖Λ‖Q 2, where ‖Λ‖ is the number of lattice sites inΛ andQ is an elementary charge. The energy of the charges comes from interactions with an electrostatic potential, which is the solution of a symmetric second-difference Poisson equation on the lattice. Two cases are considered, both of which allow the inclusion of the effects of a fixed, constant, external electric field. On the latticeΛ 1=[1,N]⊗d , a Neumann condition is imposed at the surface of the lattice. The latticeΛ 2=[1,N]⊗ [−M,M]⊗(d−1) is periodic in each direction ranging over [−M, M] and has a Dirichlet condition imposed at the other two surfaces. OnΛ 2 a finite electric field may be applied, while onΛ 2 a finite potential difference may be applied across the lattice. The models are exactly solvable. We study the distribution functions on each system and show that they satisfy appropriate forms of the first two Stillinger-Lovett moment conditions. The two charge distribution functions show screening behavior at high temperature and extreme short range at an intermediate temperatureT 0(d), and oscillate as they decay to zero forT〈T 0(d). Because of the continuous nature of the charge variables, there is no Kosterlitz-Thouless transition in two dimensions. In three dimensions the change in the decay behavior of the distribution functions atT〈T 0(d) is precursor to a phase transition to a charge ordered state.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 55 (1989), S. 127-139 
    ISSN: 1572-9613
    Keywords: Spherical model ; Coulombic systems ; correlation function decay ; surface properties
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Studies of the mean spherical model with Coulomb interactions are continued, by considering a system on ad-dimensional lattice which is periodic ind−1 dimensions and has a free surface in the remaining dimension. It is shown explicitly that correlations along the free surface decay asy −d ind dimensions and show that the surface properties of this model are those expected for a charged system in its plasma phase.
    Type of Medium: Electronic Resource
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