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New book of potential interest (fwd)
Sender: Christopher J. Cramer <cramer@maroon.tc.umn.edu>
Subject: WSN: New book of potential interest
Readers of the WSN list may find the recently released ACS Symposium
Series volume 568, Structure and Reactivity in Aqueous Solution, of interest.
The table of contents is provided below:
Book Chapters with Section Headings:
Chapter 1: C. Cramer and D. G. Truhlar-Structure and Reactivity in
Aqueous Solution. An Overview
***
Model Development
***
Chapter 2: J. Tomasi-When and How to Use Continuum Solvation Models Based
on a Quantum Mechanical Hamiltonian
Chapter 3: J. W. Storer, D. J. Giesen, G. D. Hawkins, G. C. Lynch, C. J.
Cramer, D. G. Truhlar, and D. A. Liotard-Solvation Modeling in Aqueous and
Nonaqueous Solvents: New Techniques and a Re-examination of the Claisen
Rearrangement
Chapter 4: C. Lim, S. L. Chan, and P. Tole-Solvation Free Energies from a
Combined Quantum Mechanical and Continuum Dielectric Approach
Chapter 5: G. Tawa and L. R. Pratt-Tests of Dielectric Model Descriptions
of Chemical Charge Displacements in Water
Chapter 6: A. Warshel and Z. T. Chu-Calculations of Solvation Free
Energies in Chemistry and Biology
Chapter 7: E. Clementi and G. Corongiu-Simulated Water Structure
Chapter 8: A. Nyberg and A. D. J. Haymet-The Dissociation of Water:
Analysis of the CF1 Central Force Model of Water
***
Nonequilibrium Solvation
***
Chapter 9: B. C. Garrett and G. K. Schenter-Nonequilibrium Solvation for
an Aqueous-Phase Reaction: Kinetic Isotope Effects for the Addition of
Hydrogen to Benzene
Chapter 10: K. Ando and J. T. Hynes-How Do Acids Ionize in Water?
Chapter 11: J.-L. Rivail, S. Antonczak, C. Chipot, M. F. Ruiz-Lopez, and
L. G. Gorb-Water Assisted Reactions in Aqueous Solution
Chapter 12: J. Bertran, J. M. Lluch, A. Gonzalez-Lafont, V. Dillet,
and V. Perez-Transition State Structures: From Gas Phase to Solution
***
Organic Reactions
***
Chapter 13: F. Gai, R. L. Rich, Y. Chen, and J. W. Petrich-Probing
Solvation by Alcohols and Water with 7-Azaindole
Chapter 14: S. C. Tucker and E. M. Gibbons-Theoretical Models of Anisole
Hydrolysis in Supercritical Water: Understanding the Effects of Pressure on
Reactivity
Chapter 15: J. Gao-Simulating Organic Reactions in Aqueous Solution
Chapter 16: J. J. Gajewski and N. L. Brichford-Factor Analysis of Solvent
Effects on Reactions: Applications to the Claisen Rearrangement
Chapter 17: D. L. Severance and W. L. Jorgensen-Effects of Hydration and
Multiple Reactant Conformers on the Claisen Rearrangement of Allyl Vinyl
Ether from Computer Simulations
Chapter 18: C. A. Venanzi, R. A. Buono, V. B. Luzhkov, R. J. Zauhar, and
T. J. Venanzi-Case Studies in Solvation of Bioactive Molecules: Amiloride, a
Sodium Channel Blocker, b-Cyclodextrin, an Enzyme Mimic
***
The Hydrophobic Effect
***
Chapter 19: C. S. Wilcox, N. M. Glagovich, and T. H. Webb-Designing
Synthetic Receptors for Shape-Selective Hydrophobic Binding
Chapter 20: R. Breslow-Hydrophobic and Antihydrophobic Effects on Organic
Reactions in Aqueous Solutions
Chapter 21: W. Blokzijl and J. B. F. N. Engberts-Enforced Hydrophobic
Interactions iand Hydrogen Bonding n the Acceleration of Diels-Alder
Reactions in Water
Chapter 22: D. Van Belle, M. Prevost, G. Lippens, and S. J. Wodak-The
Influence of Induced Water Dipoles on Computed Properties of Liquid Water and
on Hydration and Association of Non polar Solutes
Chapter 23: R. B. Hermann-Hydrophobic Interactions from Surface Areas,
Curvature and Molecular Dynamics. Use of the Kirkwood Superposition
Approximation to Assemble Solvent Distribution Functions from Fragments
***
Biopolymers and Interfaces
***
Chapter 24: H. A. Scheraga-Treatment of Hydration in Conformational Energy
Calculations on Polypeptides and Proteins
Chapter 25: A. Ben-Naim-Hydrophobic-Hydrophilic Forces in Protein Folding
Chapter 26: D. L. Beveridge, K. J. McConnel, R. Nirmala, M. A. Young, S.
Vijayakumar, and G. Ravishanker-Recent Progress in Molecular Dynamics
Simulations of DNA and Protein-DNA Complexes Including Solvent
Chapter 27: A. Pohorille and M. A. Wilson-Interaction of a Model Peptide
with a Water-Bilayer System
Chapter 28: I. Benjamin-A Molecular Model for an Electron Transfer
Reaction atthe Water/1,2-Dichloroethane Interface
--
Christopher J. Cramer
University of Minnesota
Department of Chemistry
207 Pleasant St. SE
Minneapolis, MN 55455-0431
(612) 624-0859
cramer@maroon.tc.umn.edu