| Structure and Reactivity in Aqueous Solution: An Overview / C.J. Cramer ; D.G. Truhlar |
| Application of Continuum Solvation Models Based on a Quantum Mechanical Hamiltonian / J. Tomasi |
| Solvation Modeling in Aqueous and Nonaqueous Solvents: New Techniques and a Reexamination of the Claisen Rearrangement / J.W. Storer ; D.J. Giesen ; G. D. Hawkins ; G. C. Lynch ; D. A. Liotard |
| Solvation Free Energies from a Combined Quantum Mechanical and Continuum Dielectric Approach / C. Lim ; S. L. Chan ; P. Tole |
| Tests of Dielectric Model Descriptions of Chemical Charge Displacements in Water / G.J. Tawa ; L.R. Pratt |
| Calculations of Solvation Free Energies in Chemistry and Biology / A. Warshell ; Z. T. Chu |
| Simulated Water Structure / E. Clementi ; G. Corongiu |
| The Dissociation of Water: Analysis of the CF1 Central Force Model of Water / A. Nyberg ; A.D. J. Haymet |
| Nonequilibrium Solvation for an Aqueous-Phase Reaction: Kinetic Isotope Effects for the Addition of Hydrogen to Benzene / B. C. Garrett ; G. K. Schenter |
| Ionization of Acids in Water / K. Ando ; J. T. Hynes |
| Water-Assisted Reactions in Aqueous Solution / J.-L. Rivail ; S. Antonczak ; C. Chipot ; M. F. Ruiz-Lopez ; L. G. Gorb |
| Transition -State Structures: From Gas Phase to Solution / J. Bertran ; J.M. Lluch ; A. Gonzalez-Lafont ; V. Dillet ; V. Perez |
| Probing Solvation by Alcohols and Water with 7-Azaindole / F. Gai ; R. L. Rich ; Y. Chen ; J.W. Petrich |
| Theoretical Models of Anisole Hydrolysis in Supercritical Water: Understanding the Effects of Pressure on Reactivity / S.C. Tucker ; E.M. Gibbons |
| Simulating Solvent Effects on Reactivity and Interactions in Ambient and Supercritical Water / J. Gao ; X. Xia |
| Factor Analysis of Solvent Effects on Reactions: Application to the Claisen Rearrangement / J.J. Gajewski ; N.L. Brichford |
| Claisen Rearrangement of Allyl Vinyl Ether: Computer Simulations of Effects of Hydration and Multiple-Reactant Conformers / D.L. Severance ; W.L. Jorgensen |
| Case Studies in Solvation of Bioactive Molecules: Amiloride, a Sodium Channel Blocker, and b-Cyclodextrin, an Enzyme Mimic / C.A. Venanzi ; R.A. Buono ; V. B. Luzhkov ; R.J. Zauhar ; T.J. Venanzi |
| Designing Synthetic Receptors for Shape-Selective Hydrophobic Binding / C.S. Wilcox ; N.M. Glagovich ; T.H. Webb |
| Hydrophobic and Antihydrophobic Effects on Organic Reactions in Aqueous Solution / R. Breslow |
| Enforced Hydrophobic Interactions and Hydrogen Bonding in the Acceleration of Diels-Alder Reactions in Water / W. Blokzijl ; J.B.F.N. Engberts |
| Influence of Induced Water Dipoles on Computed Properties of Liquid Water and on Hydration and Association of Nonpolar Solutes / D. V. Belle ; M. Prevost ; G. Lippens ; S. J. Wodak |
| Hydrophobic Interactions from Surface Areas, Curvature, and Molecular Dynamics: Use of the Kirkwood Superposition Approximation To Assemble Solvent Distribution Functions from Fragments / R.B. Hermann |
| Treatment of Hydration in Conformational Energy Calculations on Polypeptides and Proteins / H.A. Scheraga |
| Hydrophobic-Hydrophilic Forces in Protein Folding / A. Ben-Naim |
| Molecular Dynamics Simulations of DNA and Protein-DNA Complexes Including Solvent: Recent Progress / D.L. Beveridge ; K.J. McConnell ; R. Nirmala ; M.A. Young ; S. Vijayakumar ; G. Ravishanker |
| Interaction of a Model Peptide with a Water-Bilayer System / A. Pohorille ; M.A. Wilson |
| A Molecular Model for an Electron-Transfer Reaction at the Water-1,2-Dichloroethane Interface / I. Benjamin |
| Structure and Reactivity in Aqueous Solution: An Overview / C.J. Cramer ; D.G. Truhlar |
| Application of Continuum Solvation Models Based on a Quantum Mechanical Hamiltonian / J. Tomasi |
| Solvation Modeling in Aqueous and Nonaqueous Solvents: New Techniques and a Reexamination of the Claisen Rearrangement / J.W. Storer ; D.J. Giesen ; G. D. Hawkins ; G. C. Lynch ; D. A. Liotard |
| Solvation Free Energies from a Combined Quantum Mechanical and Continuum Dielectric Approach / C. Lim ; S. L. Chan ; P. Tole |
| Tests of Dielectric Model Descriptions of Chemical Charge Displacements in Water / G.J. Tawa ; L.R. Pratt |
| Calculations of Solvation Free Energies in Chemistry and Biology / A. Warshell ; Z. T. Chu |
図書
Resonances in electron-molecule scattering, van der Waals complexes, and reactive chemical dynamics