By simulation and theory, we study the probability of observing N molecular centers within molecular sized volumes for a Lennard-Jones fluid near liquid-vapor coexistence. For large volumes and small N, the probability distribution differs markedly from Gaussian. The free energy per unit surface area to form empty volumes (i.e., cavities) is a rapidly varying function of the radius for small ca...

We present a new global optimization algorithm in which the influence of the leaders in social groups is used as an inspiration for the evolutionary technique which is designed into a group architecture. To demonstrate the efficiency of the method, a standard suite of single and multi dimensional optimization functions along with the energies and the geometric structures of Lennard-Jones cluste...

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...

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...

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.

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...

In this study, the radial distribution and gravimetric storage capacities of hydrogen on coronene (C24H12) and its Si substituted forms, C24H12, C24-nSinH12 (n= 4-24), have been investigated at 298 K and 0.1 MPa (standard situation) using (N,V,T) Monte Carlo simulation by Lennard-Jones (LJ) 12-6 potential. The results show that the increase of number of silicon substitution doesn’t have any eff...

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.