نتایج جستجو برای: lennard jones

تعداد نتایج: 17618  

2004
B. Y. Wang

Nonequilibrium molecular dynamics calculations of the shear viscosity of supercritical carbon dioxide along the 313 K isotherm are reported. Three different intermolecular potential models of increasing complexity are considered: a spherically symmetric Lennard-Jones potential, a two-site Lennard-Jones potential, and a three-site potential which includes a quadrupole-quadrupole moment. Results ...

Journal: :Physica A: Statistical Mechanics and its Applications 1999

2015
Michael Ashby

This paper argues that significant research and teaching in experimental phonetics at UCL preceded the establishment of the laboratory in 1912 by almost a decade. The forgotten work of E. R. Edwards [1] combined descriptive and experimental approaches in a pioneering study of Japanese. Recently recovered artefacts, and a close reading of the early publications of Daniel Jones (DJ), reveal a sur...

Journal: :Bioinformatics 2009
Anatoly M. Ruvinsky Ilya A. Vakser

MOTIVATION Computational studies of the energetics of protein association are important for revealing the underlying fundamental principles and for designing better tools to model protein complexes. The interaction cutoff contribution to the ruggedness of protein-protein energy landscape is studied in terms of relative energy fluctuations for 1/r(n) potentials based on a simplistic model of a p...

2015
Bence Jones M ICHAEL J. DEEGAN

The nature of Bence Jones proteins is developed by a review of the pertinent literature. This is followed by a discussion of their metabolism and catabolism under normal and abnormal clinical conditions. Various methods for the detection of Bence Jones proteins are critically reviewed and the significance of these pro­ teins in various disorders is assessed.

2015
V. McKoy

Articles you may be interested in Meso-level simulation of gas hydrate dissociation inlow-permeability sediments Theor. Dissociation pressures of some gas hydrates have been evaluated using the Lennard-Jones 12-6 28-7 and Kihara potentials in the Lennard-Jones-Devonshire cell model. The Lennard-Jones 28-7 pot~ntial 'gives the least satisfactory results. The Lennard-Jones 12-6 potential works sa...

Journal: :The European Physical Journal D 2012

1998
Jeroen M. Voogd Jeroen Marco Voogd D. Frenkel

Cover page: The fth frequency breakdown (2562 particles) of a spherical icosahedron projected onto a hyperbolic surface. The shown Voronoi polygons of the particles are coloured according to the Lennard-Jones potential energy: bright is high energy, dark is low energy.

2003
Ricardo Weder

We prove that the scattering matrix at a fixed quasi–energy determines uniquely a time–periodic potential that belongs to L and that decays exponentially at infinity. Our result is new even in the time–independent case, where it was only proven for bounded exponentially decreasing potentials.

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