 |
|
| QUANTITATIVE TREATMENTS OF SOLUTE/SOLVENT INTERACTIONS, 1
| |
| | |
|
|
To order this title, and for more information, click here
Edited By
P. Politzer
J.S. Murray, Department of Chemistry, University of New Orleans, New Orleans, LA, USA
Included in series
Theoretical and Computational Chemistry, 1
Description
The primary objective of this volume, the first in a new series entitled Theoretical and Computational Chemistry, is to survey some effective
approaches to understanding, describing and predicting ways in which solutes and solvents interact and the effects they have upon each
other. The treatment of solute/solvent interactions that is presented emphasizes a synergism between theory and experiment. Data obtained
experimentally are used as a basis for developing quantitative theoretical models that permit the correlation and interpretation of the
data, and also provide a predictive capability. The latter being of course a key motivation for these efforts. Linear solvation energy
relationships have been quite successful in this respect and accordingly receive considerable attention. Other effective approaches,
including computational ones, are also being pursued, and are discussed in several chapters. This is an area that is continually evolving,
and it is hoped that the present volume will convey a sense of its dynamic nature.
Contents
1. Perspectives and overview (P. Politzer, J.S. Murray). 2. Development and biological applications of quantum mechanical continuum solvation
models (C.J. Cramer, D.G. Truhlar). 3. Some effects of molecular structure on hydrogen-bonding interactions. Some macroscopic and microscopic
views from experimental and theoretical results (R.W. Taft, J.S. Murray). 4. New solute descriptors for linear free energy relationships
and quantitative structure-activity relationships (M.H. Abraham). 5. Hydrogen bonding in the gas phase and in solution. New experimental
developments (J.-L.M. Abboud, R. Notario, V. Botella). 6. Solvent acidity and basicity in polar media and their role in solvation (W.R.
Fawcett). 7. Using theoretical descriptors in linear solvation energy relationships (G.R. Famini, L.Y. Wilson). 8. A general interaction
properties function (GIPF): An approach to understanding and predicting molecular interactions (J.S. Murray, P. Politzer). 9. Estimation
of chemical reactivity and parameters and physical properties of organic molecules using SPARC (S.H. Hilal, A. Carreira, S.W. Karikhoff).
Index.
| Bibliographic details |
Hardbound, 0 pages, publication date: DEC-1994
ISBN-13: 978-0-444-82054-9
ISBN-10: 0-444-82054-X
Imprint: ELSEVIER
|
| Price and Ordering |
Price:
USD 305
GBP 184.99
EUR 217.95
|  |
Books and book related electronic products are priced in US dollars (USD), euro (EUR), and Great Britain Pounds (GBP). USD prices apply to the Americas and Asia Pacific. EUR prices apply in Europe and the Middle East. GBP prices apply to the UK and all other countries.
|
See also information about conditions of sale & ordering procedures, and links to our regional sales offices.
|
030/300
Last update: 4 Sep 2009
|
|
| |
| | |
|
|
| |
Home | Elsevier Sites | Privacy Policy | Terms and Conditions | Feedback | Site Map | A Reed Elsevier Company