Comment on the structure of a simple liquid solvent near a n-butane solute molecule
- 15 July 1980
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 73 (2) , 1002-1003
- https://doi.org/10.1063/1.440218
Abstract
The distribution of solvent molecules aroung two different conformations of an n‐butane solut molecule is discussed. Monte Carlo calculations are presented for distributions of solvent molecules around the exterior methyl and interior methylene groups of the n‐butane molecule. The sampling is increased several gold from previous attempt,1 to obtain better statistics. (AIP)Keywords
This publication has 5 references indexed in Scilit:
- A molecular dynamics and Monte Carlo study of solvent effects on the conformational equilibrium of n-butane in CCl4a),b)The Journal of Chemical Physics, 1979
- Structures of Molecular LiquidsAnnual Review of Physical Chemistry, 1978
- Series solution of the HNC and PY equations: The simple chain recursion wayThe Journal of Chemical Physics, 1978
- Cluster diagrammatic analysis of the RISM equationMolecular Physics, 1976
- Role of Repulsive Forces in Determining the Equilibrium Structure of Simple LiquidsThe Journal of Chemical Physics, 1971