Subject: New Book from Ellis Horwood

From: [email-masked] (Arieh Edelstein)
Date: Thu, 23 Feb 95 18:38:58 +0200

Ellis Horwood Series in Physical Chemistry, 1995
Series Editor: Professor T.J.Kemp, University of Warwick
Quantum Chemical and Statistical Theory of Solutions
A Computational Approach
B.Ya Simkin and I.I.Sheikhet
Containing detailed reviews of developments in the investigation of various
physical and chemical processes in liquids, this bookUs main emphasis lies in
the theory of solutions used.
The first  part is theoretically based, and discusses methods of quantum
chemistry and statistical physics as applied to simulation of liquid phase
properties.  Various methods are considered, including the semi-empirical and
non-empirical methods of quantum chemistry, dielectric models, Monte Carlo and
molecular dynamics methods.  The influence of the calculational scheme on the
results of calculations on solutions is discussed.
The second part covers the applications of methods in the study of the
properties of infinitely diluted electrolyte and non-electrolyte solutions, the
mechanisms of association, chemical reactions including electron and proton
transfer, and the  medium influence on spectral characteristics.  Emphasis is
given to the powerful and informative applications of statistical physics.
In combining quantum chemical and statistical approaches in one volume, this
book allows readers to find their bearings in a large number of theoretical
methods, and assists in applying their findings to solve various problems in
solution chemistry.
Readership.  Physical and organic chemists; biochemists and biophysicists
engaged in investigation of properties of liquids and reaction mechanisms in
solutions.