The Library
Towards an anisotropic bead-spring model for ribbonlike polymers: Monte Carlo simulations of liquid benzene
Tools
UNSPECIFIED (2003) Towards an anisotropic bead-spring model for ribbonlike polymers: Monte Carlo simulations of liquid benzene. JOURNAL OF CHEMICAL PHYSICS, 119 (5). pp. 2903-2907. doi:10.1063/1.1586254 ISSN 0021-9606.
Research output not available from this repository.
Request-a-Copy directly from author or use local Library Get it For Me service.
Official URL: http://dx.doi.org/10.1063/1.1586254
Abstract
We present a Monte Carlo study for liquid benzene in the NVT ensemble. The benzene pair potential is described by an anisotropic Gay-Berne model fitted to ab initio interaction energies of the benzene dimer. We investigated the density and structure of liquid benzene at room temperature through the calculation of the carbon-carbon and molecular center-center radial distribution functions as well as the angular-radial distribution function. The simulated results are compared to experimental data and previous theoretical investigations. (C) 2003 American Institute of Physics.
Item Type: | Journal Article | ||||
---|---|---|---|---|---|
Subjects: | Q Science > QC Physics | ||||
Journal or Publication Title: | JOURNAL OF CHEMICAL PHYSICS | ||||
Publisher: | AMER INST PHYSICS | ||||
ISSN: | 0021-9606 | ||||
Official Date: | 1 August 2003 | ||||
Dates: |
|
||||
Volume: | 119 | ||||
Number: | 5 | ||||
Number of Pages: | 5 | ||||
Page Range: | pp. 2903-2907 | ||||
DOI: | 10.1063/1.1586254 | ||||
Publication Status: | Published |
Data sourced from Thomson Reuters' Web of Knowledge
Request changes or add full text files to a record
Repository staff actions (login required)
View Item |