Structure and reactivity in aqueous solution : characterization of chemical and biological systems
著者
書誌事項
Structure and reactivity in aqueous solution : characterization of chemical and biological systems
（ACS symposium series, 568）
American Chemical Society, 1994
大学図書館所蔵 件 / 全12件
-
該当する所蔵館はありません
- すべての絞り込み条件を解除する
注記
"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."
Includes bibliographical references and indexes
内容説明・目次
内容説明
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, this work provides comprehensive experimental and theoretical analyses of important organic reactions - Diels-Alder, Claisen and SN2 reactions. It also: examines equilibrium and nonequilibrium solvent effects for a variety of chemical processes; provides a comprehensive overview of the scope and utility of the present broad array of modeling techniques for mimicking aqueous solution; includes detailed studies of the hydrophobic effect as it influences protein folding and organic reactivity; and examines the effect of aqueous solvation on biological macromolecules and interfaces.
目次
- Introduction: structure and reactivity of aqueous solution - an overview, Christopher J. Cramer and Donald G. Truhlar. Part 1 Model development: application of continuum solvation models based on a quantum mechanical Hamiltonian, J. Tomasi
- solvation modeling in aqueous and nonaqueous solvents - new techniques and a re-examination of the Claisen rearrangement, Joey W. Storer et al
- solvation-free energies from a combined quantum mechanical and continuum dielectric approach, Gregaory J. Tawa and Lawrence R. Pratt
- calculations of solvation-free energies in chemistry and biology, A. Warshel and Z.T. Chu
- simulated water structure, E. Clementi and G. Corongiu
- the dissociation of water analysis of the CF1 central force model of water, Anna Nyberg and A.D.J. Haymet. Part 2 Nonequilibrium solvation: nonequilibrium solvation for an anqueous-phase reaction - kinetic isotope effects for the addition of hydrogen to benzene, Bruce C. Garrett and Gregory K. Schenter
- ionization of acids in water, Koji Ando and James T. Hynes
- water-assisted reactions in aqueous solution, Jean-Louis Rivail et al
- transition-state structures - from gas phase to solution, J. Bertran et al. Part 3 Organic reactions: probing solvation by alcohols and water with 7-azaindole, F. Gai et al
- theoretical models of anisole hydrolysis in supercritical water - understanding the effects of pressure on reactivity, Susan C. Tucker and Erin M. Gibbons
- simulating solvent effects on reactivity and interactions in ambient and supercritical water, Jiali Gao and Xinfu Xia
- factor analysis of solvent effects on reactions - applications to the Claisen rearrangement, Joseph J. Gajewski and Nancy L. Brichford
- Claisen rearrangement of allyl vinyl ether - computer simulations of effects of hydration and multiple-reactant conformers, Daniel L. Severance and William J. Jorgensen
- case studies in solvation of bioactive molecules - amiloride, a sodium channel blocker and beta-cyclodextrin, an enzyme mimic, Carol a. Venanzi et al. Part 4 The hydrophobic effect. Part 5 Biopolymers and interfaces. (Part contents)
「Nielsen BookData」 より
