عنوان

Structure and reactivity in aqueous solution :

شابک

0841229805

شابک

9780841229808

شماره

b428696

عنوان اصلي

Structure and reactivity in aqueous solution :

نام عام مواد

[Book]

ساير اطلاعات عنواني

characterization of chemical and biological systems : 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 /

نام نخستين پديدآور

Christopher J. Cramer, editor, Donald G. Truhlar, editor

نام خاص و کميت اثر

ix, 438 pages :

ساير جزييات

illustrations ;

ابعاد

24 cm

عنوان فروست

ACS symposium series,

مشخصه جلد

568

شاپا ي ISSN فروست

0097-6156 ;

متن يادداشت

Includes bibliographical references and indexes

متن يادداشت

Structure and reactivity in aqueous solution : an overview / Christopher J. Cramer and Donald 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 / Joey W. Storer, David J. Giesen, Gregory D. Hawkins, Gillian C. Lynch, Cristopher J. Cramer, Donald G. Truhlar, and Daniel A. Liotard -- Solvation free energies from a combined quantum mechanical and continuum dielectric approach / Carmay Lim, Shek Ling Chan, and Philip Tole -- Tests of dielectric model descriptions of chemical charge displacements in water / Gregory 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 -- Nonequilibrium solvation for an aqueous-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, Serge Antonczak, Christophe Chipot, Manuel F. Ruiz-López, and Leonid G. Gorb -- Transition-state structures from gas phase to solution / J. Bertrán, J.M. Lluch, A. González-Lafont, V. Dillet, and V. Pérez -- Probing solvation by alcohols and water with 7-azaindole / F. Gai, R.L. Rich, Y. Chen, and J.W. Petrich -- 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 : application 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 L. Jorgensen -- Case studies in solvation of bioactive molecules : amiloride, a sodium channel blocker, and [beta]-cyclodextrin, an enzyme mimic / Carol A. Venanzi, Ronald A. Buono, Victor B. Luzhkov, Randy J. Zauhar, and Thomas J. Venanzi -- Designing synthetic receptors for shape-selective hydrophobic binding / Craig S. Wilcox, Neil M. Glagovich, and Thomas H. Webb -- Hydrophobic and antihydrophobic effects on organic reactions in aqueous solution / Ronald Breslow -- Enforced hydrophobic interactions and hydrogen bonding in the acceleration of diels-alder reactions in water / Wilfried Blokzijl and Jan B.F.N. Engberts -- Influence of induced water dipoles on computed properties of liquid water and on hydration and association of nonpolar solutes / Daniel Van Belle, Martine Prévost, Guy Lippens, and Shoshana J. Wodak -- Hydrophobic interactions from surface areas, curvature, and molecular dynamics : use of the Kirkwood superposition approximation to assemble solvent distribution functions from fragments / Robert B. Hermann -- Treatment of hydration in conformational energy calculations on polypeptides and proteins / Harold 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, and G. Ravishanker -- Interaction of a model peptide with a water-bilayer system / A. Pohorille and M.A. Wilson -- A molecular model for an electron-transfer reaction at the water-1,2-dichloroethane interface / Ilan Benjamin

بدون عنوان

0

عنوان

Structure and reactivity in aqueous solution.

موضوع مستند نشده

Solution (Chemistry), Congresses

موضوع مستند نشده

X500

شماره

ويراست

شماره رده

نشانه اثر

مستند نام اشخاص تاييد نشده

Cramer, Christopher J.,1961-

مستند نام اشخاص تاييد نشده

Truhlar, Donald G.,1944-

مستند نام تنالگان تاييد نشده

American Chemical Society., Division of Physical Chemistry

مستند نام تنالگان تاييد نشده

American Chemical Society., Meeting(207th :1994 :, San Diego, Calif.)

تاريخ عمليات

20160712060244.0

نام الکترونيکي

نوع ماده

[Book]

تكميل شده

Y