KCS Publications

HOME > Search > Browsing(BKCS) > Archives

Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 22, Number 8
BKCSDE 22(8)
August 20, 2001

Title	Solvent Effect on Relative Gibbs Free Energy and Structural Property of Eu³⁺ to Yb³⁺ Ion Mutation: A Monte Carlo Simulation Study
Author	Hag-Sung Kim
Keywords	Solvent effect, Ion mutation, Monte carlo simulation, Relative free energy.
Abstract	The solvent effects on the relative free energies of Eu³⁺ to Yb³⁺ ion mutation in solution have been investigated using a Monte Carlo simulation of statistical perturbation theory (SPT). Our results agree well with available data that were obtained by others. Particularly, the results of water (SPC/E) solvent are almost identical with experimental data. For the present Eu³⁺ and Yb³⁺ ions, the relative free energies of solvation vs. Born’s function of bulk solvents decrease with increasing Born’s function of bulk solvents. There is also good agreement between the calculated structural properties in this study and the published works obtained by computer simulation and experimental work.
Page	877 - 882
Full Text	PDF

How to access to the WOL for The Bulletin of the Korean Chemical Society ?

The Bulletin of the Korean Chemical Society will be co-published with Wiley-VCH from 2015 towards. The online version of the Journal will thus be available on Wiley Online Library, Wiley(-VCH)'s global online platform.

KCS members can get a free online access to the Bulletin of the Korean Chemical Society in WOL.

Free Access to WOL