Quantitative Treatments of Solute/Solvent Interactions - 1st Edition - ISBN: 9780444820549, 9780080933238

Quantitative Treatments of Solute/Solvent Interactions, Volume 1

1st Edition

Editors: P. Politzer J.S. Murray
Hardcover ISBN: 9780444820549
eBook ISBN: 9780080933238
Imprint: Elsevier Science
Published Date: 7th December 1994
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Table of 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.

Description

  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.

Details

Language:
English
Copyright:
© Elsevier Science 1994
Published:
Imprint:
Elsevier Science
eBook ISBN:
9780080933238
Hardcover ISBN:
9780444820549

About the Editors

P. Politzer Editor

J.S. Murray Editor

Affiliations and Expertise

Department of Chemistry, University of New Orleans, New Orleans, LA, USA