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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 8870-8876 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The fast multipole method (FMM) has become an important alternative to traditional methods such as the Ewald method for computing the long-range interactions necessary to simulate charged or dipolar systems. In this paper, we present an improvement of this method, which we shall call the very fast multipole method (VFMM). The VFMM is shown to be a factor of about 1.2 faster than the FMM for two-dimensional systems and a factor about 2–3 times faster for three-dimensional systems without losing any accuracy for the worst case error.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Journal of the American Chemical Society 47 (1925), S. 1009-1015 
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 3
    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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  • 4
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Industrial & engineering chemistry 17 (1925), S. 180-183 
    ISSN: 1520-5045
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Sociology 7 (1981), S. 29-56 
    ISSN: 0360-0572
    Source: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Topics: Sociology
    Type of Medium: Electronic Resource
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  • 6
    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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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    European journal of clinical pharmacology 39 (1990), S. 457-461 
    ISSN: 1432-1041
    Keywords: Vancomycin ; drug utilization ; drug usage evaluation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Medicine
    Notes: Summary A prospective, two-phase, drug utilization review (DUR) was performed at the Royal Adelaide Hospital (RAH) to determine the extent and pattern of vancomycin use. For all patients commencing oral or parenteral vancomycin, treatment indication, route of administration, duration of therapy, results of culture and sensitivity tests, adverse drug reactions and results of therapeutic drug level monitoring were recorded. Vancomycin courses were classified as being for therapy or prophylaxis and compared with predetermined audit criteria to assess appropriateness of use. During the 8 week initial phase, data on 62 treatment courses in 59 patients were recorded, 50% for therapy and 50% for prophylaxis. Sixty four percent were classified as inappropriate, occurring in 32% of therapeutic courses and 97% of those for prophylaxis. During the 10 week re-evaluation, conducted 10 months later, data for 43 treatment courses in 43 patients were reviewed, 42% for therapy and 58% for prophylaxis. Sixty five percent were inappropriate occuring in 17% of therapeutic courses and 100% of the prophylactic courses. When compared with the initial phase, the re-evaluation demonstrated a decrease in the empirical use of vancomycin in the combination treatment of neutropaenic fever and also in the duration of vancomycin use for surgical prophylaxis. During both study phases, criteria contraventions were mostly due to inappropriate indication or duration of therapy. The cost of inappropriate vancomycin use was reduced by over 50% between survey phases, from $Aus11,500 or 55% of total vancomycin cost during the initial phase to $Aus3,600 or 25.7% during the re-evaluation. The most effective of the remedial strategies implemented after the initial phase was direct consultation with prescriber groups. The effectiveness of this DUR has provided the basis for an ongoing DUR programme at the RAH which has been met with general acceptance by hospital clinicians and administrators.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 24 (1981), S. 607-616 
    ISSN: 1572-9613
    Keywords: RISM equation ; diatomic ; correlation functions
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Using the solution of the RISM equation for diatomic symmetric molecules outlined in a previous paper, the site-site radial distribution function (RDF) is calculated and compared with the Monte Carlo results and the numerical RDF of Lowden and Chandler. The RDF calculated here and the numerical RDF of Lowden and Chandler agree well at intermediate and high densities. At low density, however, both have systematic errors. The agreement between the RDF calculated here and the Monte Carlo results suggests that a simplified formulation of the RISM solution may serve well as a reference system in a perturbation theory for diatomic fluids.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 31 (1983), S. 129-140 
    ISSN: 1572-9613
    Keywords: Coulomb systems ; plasmas ; surface properties ; strip geometry ; correlations ; sum rules
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract This paper considers a strip of two-dimensional one-component plasma of particles of chargeq at a temperatureT such that the coupling constant be Γ=q2/kBT = 2. The strip is of finite width and infinite length and bears charge densities on either edge. Inside the strip and on one side, the dielectric constant is 1; on the other side of the strip, it may be either 1 or 0 (in the latter case, image forces play an important role). The free energy as well as the one-particle and two-particle distribution functions can be exactly computed. They obey a variety of sum rules reflecting the Coulombic behavior of the system. At large separations the truncated two-particle distribution function behaves with algebraically decaying oscillations. The strip of finite width in fact is correlated along the strip much as a one-dimensional system is correlated.
    Type of Medium: Electronic Resource
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  • 10
    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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