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1.

図書

図書
Erik Högfeldt, editor
出版情報: Stockholm : Swedish Natural Science Research Council, 1972  xxiv, 618 p. ; 26 cm
シリーズ名: Kungl. Tekniska högskolans handlingar = Transactions of the Royal Institute of Technology, Stockholm, Sweden ; no. 248-296 . Pure and applied chemistry ; 34
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2.

図書

図書
Д.И. Менделеев
出版情報: Москва : Изд-во Академии наук СССР, 1960  179 p. ; 27 cm
シリーズ名: Научный архив / Д.И. Менделеев
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3.

図書

図書
Arieh Ben-Naim
出版情報: Hackensack, N.J. : World Scientific, c2009  xxx, 629 p. ; ill. (some col.) ; 24 cm
シリーズ名: Molecular theory of water and aqueous solutions / Arieh Ben-Naim ; pt. 1
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目次情報: 続きを見る
Preface
Acknowledgments
List of Abbreviations
Survey of the Properties of Water Personal Introduction / 1:
Introduction and Some Historical Notes / 1.1:
Properties of Water in the Gaseous Phase / 1.2:
The single water molecule / 1.2.1:
Interaction between two water molecules / 1.2.2:
Properties of Water in the Solid Phase / 1.3:
Ordinary ice / 1.3.1:
The residual entropy of ice / 1.3.2:
The phase diagram of water / 1.3.3:
Properties of Water in the Liquid Phase / 1.4:
Some outstanding properties of water / 1.4.1:
Molar volume of water and its temperature dependence / 1.4.2:
Heat capacity / 1.4.3:
Isothermal compressibility / 1.4.4:
The radial distribution function of water / 1.4.5:
The Kirkwood-Buff Integral / 1.5:
Ideal gas / 1.5.1:
Inert gases represented as Lennard-Jones particles / 1.5.2:
Water, methanol, and ethanol / 1.5.3:
Solvation of Water in Water / 1.6:
The Importance of Water in Biological Systems / 1.7:
Theoretical Approaches to the Study of Liquid Water Personal Introduction / 2:
Introduction / 2.1:
The General Theoretical Framework / 2.2:
The Mixture-Model Approach to Liquid Water / 2.3:
The origin of the mixture-model theory of water / 2.3.1:
Wada's two-structure model for water: The success and the limitation of the MM approach / 2.3.2:
An exact MM approach to the theory of liquids / 2.3.3:
Application of an exact two-structure model / 2.3.4:
Lattice Models for Water / 2.4:
The Pauling model and its solution / 2.4.1:
The heat capacity and the isothermal compressibility / 2.4.3:
A One-Dimensional Model for Water / 2.5:
The primitive model and the corresponding partition function / 2.5.1:
Selected illustrative results for the primitive model / 2.5.3:
The primitive cluster model for water and its partition function / 2.5.4:
Cluster's size distribution / 2.5.5:
Selected results for the primitive cluster model / 2.5.6:
Some concluding remarks regarding the 1-D model for water / 2.5.7:
A Two-Dimensional Model for Water / 2.6:
The physical model of water-like particles in two dimensions / 2.6.1:
The application of the Percus-Yevick equation to the BN2D model / 2.6.3:
Simulated results / 2.6.4:
Further development of the 2-D model / 2.6.5:
Three-Dimensional Models for Water / 2.7:
Introduction: A new era of waterresearch / 2.7.1:
Effective pair potential for water / 2.7.2:
Second virial coefficients of water / 2.7.3:
Definition of the structure of water / 2.7.4:
An approximate method of calculating the structure of water / 2.7.5:
Solvation of water in pure water / 2.7.6:
Distribution of species of water molecules / 2.7.7:
Application of the Percus-Yevick equation / 2.7.8:
Application of cluster expansion to water / 2.7.9:
Water with One Simple Solute Personal Introduction / 2.7.10:
Survey of Some Properties of Simple Aqueous Solutions / 3.1:
Solvation and Conditional Solvation / 3.3:
Definition of the solvation process / 3.3.1:
Hydrophobic and hydrophilic solutes / 3.3.2:
Why do we need solvation quantities? / 3.3.3:
Statistical Mechanical Expressions for the Solvation Thermodynamic Quantities / 3.4:
Application of the Mixture-Model Approach to Water / 3.5:
Application of a two-structure model (TSM) / 3.5.1:
Generalization to any mixture model of water / 3.5.2:
Application of an Interstitial Model for Water to Aqueous Solutions / 3.6:
The Problem of Stabilization of the Structure of Water / 3.7:
The concept of structural temperature / 3.7.1:
Formulation of the problem within the mixture-model approach / 3.7.2:
The application of the Kirkwood-Buff theory / 3.7.3:
An exact argument for a hard-point solute / 3.7.4:
An approximate measure of the structural change induced by the solute / 3.7.5:
An empirical estimate of the structural changes induced by the solute on the solvation entropy / 3.7.6:
Application of the Scaled Particle Theory / 3.8:
Application of a One-Dimensional Model / 3.9:
Solvation of hard rods in the primitive model for water / 3.9.1:
Application of the primitive cluster model for dilute solutions of inert solutes / 3.9.3:
Results for HR solute in dilute solutions of the primitive cluster model / 3.9.4:
Applications of Two-Dimensional Models / 3.10:
Applications of Three-Dimensional Models / 3.11:
Water with Two Solute Molecules; Hydrophobic Hydrophilic Phenomena Personal Introduction / 4:
The Experimental Evidence / 4.1:
Redefinition of the HøO Interaction / 4.3:
A Simple Measure of the Strength of the "Pure" HøO Interaction / 4.4:
Some experimental data on the strength of HøO interactions / 4.4.1:
HøO interaction among m identical spherical non-polar solute particles / 4.4.2:
Attaching a methyl group to various hydrocarbons / 4.4.3:
Attaching an ethyl group to various molecules / 4.4.4:
The hydrophobic interaction at zero separation / 4.4.5:
The hydrophobic interaction at contact distance between the two solutes / 4.4.6:
An improved approximate measure of the HøO interaction / 4.4.7:
Intramolecular HøO Interactions / 4.5:
A simple measure of the intermolecular HøO interaction / 4.5.1:
Mixed HøO-HøI interactions / 4.5.2:
Temperature and Pressure Dependence / 4.6:
Some experimental values of the entropy, enthalpy, and volume changes associated with the HøO interaction / 4.7.1:
Formal statistical mechanical expressions for ?G, ?S, ?H, and ?V for the HøO process / 4.7.2:
Hydrophobic interaction and structural changes in the solvent / 4.7.3:
A measure of the amount of structural changes in the solvent / 4.7.4:
Solvent Induced Interactions Between Two Hydrophilic Høl Groups / 4.8:
The Høl interaction at R1 ? 2.76 Ã… / 4.8.1:
The Høl interaction at R2 = 4.5 Ã… / 4.8.2:
Intramolecular HHøl interaction at R2 = 4.5 Ã… / 4.8.3:
Application of One-Dimensional Models to Study Hydrophobic Interactions / 4.9:
Application of Two-Dimensional Models / 4.10:
Application of Three-Dimensional Models / 4.11:
Hydrophobic or Hydrophilic? That is the Question! / 4.12:
A short history of the rise and fall of hydrophobia and hydrophilia / 4.12.1:
The decline of the hydrophilic effect / 4.12.2:
The rise of the H?O effect / 4.12.3:
The resurgence of the H?l effects / 4.12.4:
Appendices
The Tetrahedral Geometry / Appendix A:
Calculation of the Residual Entropy of Water / Appendix B:
The Kirkwood-Buff Integrals for an Ideal Gas / Appendix C:
The Equivalence Between the One-Component and the Mixture-Model Views of the Same System / Appendix D:
The Generalized Euler Theorem / Appendix E:
Some Identities in the Mixture-Model Approach / Appendix F:
The Statistical Mechanical Expression for the Solvation Gibbs Energy of Hard Spheres and the Work of Cavity Formation / Appendix G:
The Solubility of a Simple Solute in Water and Structural Changes Induced in the Solvent / Appendix H:
An Estimate of the Strength of Hydrophilic Interaction at R = 4.5 Ã… / Appendix I:
Calculated Data on H?l Interactions / Appendix j:
Experimental Evidence for the Entropy-Enthalpy Compensation / Appendix K:
Solutions to Selected Exercises / Appendix L:
References
Index
Preface
Acknowledgments
List of Abbreviations
4.

図書

図書
edited by R. Thompson
出版情報: London : Royal Society of Chemistry, 1986  245 p. ; 21cm
シリーズ名: Special publication / Royal Society of Chemistry ; 61
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5.

図書

図書
[by] Arieh Ben-Naim
出版情報: New York : Plenum Press, [1974]  xvi, 474 p. ; 24 cm
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6.

図書

図書
Arieh Ben-Naim
出版情報: New York : Plenum Press, 1980  xiii, 311 p. ; 24 cm
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7.

図書

図書
[by] Edward S. Amis [and] James F. Hinton
出版情報: New York : Academic Press, 1973-  v ; 24 cm
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8.

図書

図書
Bernard Trémillion ; translated by Douglas Inman
出版情報: Chichester : John Wiley & Sons, 1997  xi, 554 p. ; 24 cm
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9.

図書

図書
[by] A.K. Pikaev ; Translated by Scripta Technica, Translation editor, Edwin J. Hart
出版情報: Bloomington : Indiana University Press, 1967  xvi, 295 p ; 24 cm
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10.

図書

図書
edited by Orlando Tapia and Juan Bertrán
出版情報: Boston : Kluwer Academic Publishers, 1996  x, 377 p. ; 25 cm
シリーズ名: Understanding chemical reactivity ; v. 17
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目次情報: 続きを見る
Preface
Continuum Solvation Models / C.J. Cramer ; D.G. Truhlar
Theoretical Basis for the Treatment of Solvent Effects in the Context of Density Functional Theory / R. Contreras, et al.
Monte Carlo Simulations of Chemical Reactions in Solution / A. Gonzalez-Lafont, et al.
Computer Simulation for Chemical Systems: From Vacuum to Solution / G. Corongiu, et al.
Crossing the Transition State in Solution / J.T. Hynes
Valence Bond Multistate Approach to Chemical Reactions in Solution / R. Bianco
Quantum Theory of Solvent Effects and Chemical Reactions / O. Tapia, et al.
Index
Preface
Continuum Solvation Models / C.J. Cramer ; D.G. Truhlar
Theoretical Basis for the Treatment of Solvent Effects in the Context of Density Functional Theory / R. Contreras, et al.
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