Coverart for item
The Resource Structure and reactivity in aqueous solution : characterization of chemical and biological systems, Christopher J. Cramer, editor, Donald G. Truhlar, editor

Structure and reactivity in aqueous solution : characterization of chemical and biological systems, Christopher J. Cramer, editor, Donald G. Truhlar, editor

Label
Structure and reactivity in aqueous solution : characterization of chemical and biological systems
Title
Structure and reactivity in aqueous solution
Title remainder
characterization of chemical and biological systems
Statement of responsibility
Christopher J. Cramer, editor, Donald G. Truhlar, editor
Contributor
Subject
Genre
Language
eng
Member of
Cataloging source
DLC
Dewey number
541.3/422
Illustrations
illustrations
Index
index present
LC call number
QD540
LC item number
.S77 1994
Literary form
non fiction
NAL call number
QD1.A45
NAL item number
no.568
Nature of contents
bibliography
http://library.link/vocab/relatedWorkOrContributorDate
  • 1961-
  • 1944-
http://library.link/vocab/relatedWorkOrContributorName
  • Cramer, Christopher J.
  • Truhlar, Donald G.
  • American Chemical Society
Series statement
ACS symposium series
Series volume
568
http://library.link/vocab/subjectName
Solution (Chemistry)
Label
Structure and reactivity in aqueous solution : characterization of chemical and biological systems, Christopher J. Cramer, editor, Donald G. Truhlar, editor
Instantiates
Publication
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."
Bibliography note
Includes bibliographical references and indexes
Carrier category
volume
Carrier category code
  • nc
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
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
Control code
30891920
Dimensions
24 cm
Extent
ix, 438 pages
Isbn
9780841229808
Lccn
94029430
Media category
unmediated
Media MARC source
rdamedia
Media type code
  • n
Other physical details
illustrations
System control number
(WaOLN)1006119
Label
Structure and reactivity in aqueous solution : characterization of chemical and biological systems, Christopher J. Cramer, editor, Donald G. Truhlar, editor
Publication
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."
Bibliography note
Includes bibliographical references and indexes
Carrier category
volume
Carrier category code
  • nc
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
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
Control code
30891920
Dimensions
24 cm
Extent
ix, 438 pages
Isbn
9780841229808
Lccn
94029430
Media category
unmediated
Media MARC source
rdamedia
Media type code
  • n
Other physical details
illustrations
System control number
(WaOLN)1006119

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