TITLE

A Monte Carlo simulation study of the temperature dependence for the conformation distribution of

AUTHOR(S)
Engkvist, Ola; Karlstrom, Gunnar
PUB. DATE
February 1997
SOURCE
Journal of Chemical Physics;2/8/1997, Vol. 106 Issue 6, p2411
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Discusses the use of Monte Carlo simulations of 1,2-dimethoxyethane in water at two temperatures. Analysis showing that the anti-anti-anti conformer of the compound is the only of the most populated conformers that increases its probability with increasing temperature; Clouding of polyethyleneoxide-water solutions as induced by conformational changes.
ACCESSION #
4163211

 

Related Articles

  • Conformational properties of a polymer chain confined between two plates. Ishinabe, Takao // Journal of Chemical Physics;7/1/1985, Vol. 83 Issue 1, p423 

    The behavior of a polymer chain confined between parallel plates a distance D apart is studied by Monte Carlo calculations of self-avoiding walks for up to 100 steps on the tetrahedral lattice. Scaling predictions of Daoud and de Gennes are tested using the data obtained; they are consistent...

  • Monte Carlo simulation and phase behavior of nonadditive hard-core mixtures in two dimensions. Saija, F.; Giaquinta, P. V. // Journal of Chemical Physics;9/22/2002, Vol. 117 Issue 12, p5780 

    We report Monte Carlo results for the thermodynamic and structural properties of a mixture of equally sized hard discs that are characterized by a nonadditive collision diameter for particles belonging to unlike species. We calculated the phase-coexistence lines relative to fluid-fluid demixing...

  • A comparison of the implementation and performance of the Nanbu and Bird direct simulation Monte Carlo methods. Boyd, I. D.; Stark, J. P. W. // Physics of Fluids (00319171);Dec87, Vol. 30 Issue 12, p3661 

    Since Bird [Phys. Fluids 6, 1518 (1963)] first proposed the idea of direct simulation Monte Carlo (DSMC) techniques in order to model rarefied gas flows, a concern has been that his method does not provide a solution to the Boltzmann equation. Several simulation schemes have now been developed...

  • Monte Carlo convolution method for simulation and analysis of fluorescence decay data. Chowdhury, Fahmida N.; Kolber, Zbigniew S.; Barkley, Mary D. // Review of Scientific Instruments;Jan1991, Vol. 62 Issue 1, p47 

    A Monte Carlo convolution method for simulating time-correlated single photon counting data is presented. The random convolution automatically produces the Poisson statistics of the real experiment. The new simulation technique offers realistic treatment of various aspects of the single photon...

  • Scattering rates due to lineal dislocations in heterostructures for the Monte Carlo charge transport simulation. Abou-Khalil, Michel; Matsui, Toshiaki; Bougrioua, Zahia; Maciejko, Roman; Wu, Ke; Wu, K.; Maciejko, R.; Bougrioua, Z. // Applied Physics Letters;7/6/1998, Vol. 73 Issue 1 

    We derived expressions for the scattering rates due to dislocations in pseudomorphic heterostructures. We gave explicit formulas for those scattering rates in the free and the confined states, depending on the initial carrier energy and on the component of the total wave vector parallel to the...

  • Stare Down the Barrel and Center the Crosshairs: Targeting the Ex Ante Equity Premium. Donaldson, Glen; Kamstra, Mark; Kramer, Lisa // Working Paper Series (Federal Reserve Bank of Atlanta);Jan2003, Vol. 2003 Issue 4, p1 

    Develops a method to simulate the distribution from which ex post equity premia are drawn, conditional on various assumptions about investors' ex ante equity premium. Key financial statistics of the U.S. economy; Result of the true ex ante equity premium.

  • Parallel-hat tempering: A Monte Carlo search scheme for the identification of low-energy structures. Zhang, Yang; Skolnick, Jeffrey // Journal of Chemical Physics;9/15/2001, Vol. 115 Issue 11 

    A new parallel-hat tempering algorithm has been developed for Monte Carlo simulations, in which a composite ensemble of noninteracting replicas of the molecule system at different temperatures is simulated, and the Markov process of each replica is driven by a hatlike weight factor with...

  • Novel charge injection transistors with heterojunction source (launcher) and drain (blocker).... Tian, H.; Kim, K.W. // Applied Physics Letters;7/12/1993, Vol. 63 Issue 2, p174 

    Examines the novel charge injection transistors with heterojunction source and drain configurations. Use of band gap material as the device source or drain regions; Effect of source and drain heterojunctions on real space transfer and blocking electrons; Application of the Monte Carlo...

  • Density-of-states Monte Carlo method for simulation of fluids. Yan, Qiliang; Faller, Roland; de Pablo, Juan J. // Journal of Chemical Physics;5/22/2002, Vol. 116 Issue 20, p8745 

    A Monte Carlo method based on a density-of-states sampling is proposed for study of arbitrary statistical mechanical ensembles in a continuum. A random walk in the two-dimensional space of particle number and energy is used to estimate the density of states of the system; this density of states...

Share

Read the Article

Courtesy of NEW JERSEY STATE LIBRARY

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics