Format:
1 Online-Ressource (452 pages)
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illustrations
ISBN:
9780841214682
Series Statement:
ACS symposium series 568
Note:
"Developed from a symposium sponsored by the Division of Physical Chemistry at the 207th national meeting of the American Chemical Society, San Diego, California, March 13-18, 1994."
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Distributed in print by Oxford University Press
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Includes bibliographical references and index
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Structure and Reactivity in Aqueous Solution: An Overview /
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Application of Continuum Solvation Models Based on a Quantum Mechanical Hamiltonian /
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Solvation Modeling in Aqueous and Nonaqueous Solvents: New Techniques and a Reexamination of the Claisen Rearrangement /
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Solvation Free Energies from a Combined Quantum Mechanical and Continuum Dielectric Approach /
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Tests of Dielectric Model Descriptions of Chemical Charge Displacements in Water /
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Calculations of Solvation Free Energies in Chemistry and Biology /
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Simulated Water Structure /
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The Dissociation of Water: Analysis of the CF1 Central Force Model of Water /
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Nonequilibrium Solvation for an Aqueous-Phase Reaction: Kinetic Isotope Effects for the Addition of Hydrogen to Benzene /
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Ionization of Acids in Water /
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Water-Assisted Reactions in Aqueous Solution /
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Transition-State Structures: From Gas Phase to Solution /
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Probing Solvation by Alcohols and Water with 7-Azaindole /
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Theoretical Models of Anisole Hydrolysis in Supercritical Water: Understanding the Effects of Pressure on Reactivity /
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Simulating Solvent Effects on Reactivity and Interactions in Ambient and Supercritical Water /
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Factor Analysis of Solvent Effects on Reactions: Application to the Claisen Rearrangement /
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Claisen Rearrangement of Allyl Vinyl Ether: Computer Simulations of Effects of Hydration and Multiple-Reactant Conformers /
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Case Studies in Solvation of Bioactive Molecules: Amiloride, a Sodium Channel Blocker, and β-Cyclodextrin, an Enzyme Mimic /
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Designing Synthetic Receptors for Shape-Selective Hydrophobic Binding /
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Hydrophobic and Antihydrophobic Effects on Organic Reactions in Aqueous Solution /
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Enforced Hydrophobic Interactions and Hydrogen Bonding in the Acceleration of Diels—Alder Reactions in Water /
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Influence of Induced Water Dipoles on Computed Properties of Liquid Water and on Hydration and Association of Nonpolar Solutes /
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Hydrophobic Interactions from Surface Areas, Curvature, and Molecular Dynamics: Use of the Kirkwood Superposition Approximation To Assemble Solvent Distribution Functions from Fragments /
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Treatment of Hydration in Conformational Energy Calculations on Polypeptides and Proteins /
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Hydrophobic—Hydrophilic Forces in Protein Folding /
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Molecular Dynamics Simulations of DNA and Protein—DNA Complexes Including Solvent: Recent Progress /
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Interaction of a Model Peptide with a Water—Bilayer System /
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A Molecular Model for an Electron-Transfer Reaction at the Water—1,2-Dichloroethane Interface /
Additional Edition:
ISBN 9780841229808
Additional Edition:
ISBN 0841229805
Additional Edition:
Erscheint auch als ISBN 9780841229808
Additional Edition:
Erscheint auch als ISBN 0841229805
Language:
English
DOI:
10.1021/bk-1994-0568
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