scispace - formally typeset
Search or ask a question

Showing papers by "F. J. Bermejo published in 2014"

Journal Article•DOI•
Short range order of CCl4: RMC and MD Methods

[...]

A Silva-Santisteban1, Andrés Henao1, Sz. Pothoczki2, Sz. Pothoczki1, F. J. Bermejo3, J. Ll. Tamarit1, Elvira Guàrdia1, Gabriel J. Cuello, Luis Carlos Pardo1 •
Polytechnic University of Catalonia1, Hungarian Academy of Sciences2, University of the Basque Country3
08 Jan 2014
TL;DR: In this paper, the authors present a method to fully determine the six degrees of freedom regarding position and orientation of a neighboring molecule around a central one, i.e. the g(rCM,ω) distribution function.
Abstract: The main objective of this paper is to present a method to fully determine the six degrees of freedom regarding position and orientation of a neighboring molecule around a central one, i.e. the g(rCM,ω) distribution function. This is accomplished by completely determining the short range structure of liquid carbon tetrachloride, while employing results from two different methods, Molecular Dynamics (MD) (1) and Reverse Monte Carlo (RMC) (2). Exclusively, the structural ordering of the first four molecules will be detailed.

1 citations