By F. Hirata
ISBN-10: 1402015623
ISBN-13: 9781402015625
Molecular idea of Solvation provides the new growth within the statistical mechanics of molecular beverages utilized to the main fascinating difficulties in chemistry this day, together with chemical reactions, conformational balance of biomolecules, ion hydration, and electrode-solution interface. The continuum version of "solvation" has performed a dominant position in describing chemical strategies in resolution over the last century. This e-book discards and replaces it thoroughly with molecular thought taking right account of chemical specificity of solvent. the most equipment hired here's the reference-interaction-site-model (RISM) idea, that's mixed with different instruments in theoretical chemistry and physics: the ab initio and density useful theories in quantum chemistry, the generalized Langevin idea, and the molecular simulation ideas. This ebook should be of gain to graduate scholars and commercial scientists who're suffering to discover a greater approach of accounting and/or predicting "solvation" homes.
Read or Download Molecular Theory of Solvation PDF
Similar physical chemistry books
Download PDF by F. Hirata: Molecular Theory of Solvation
Molecular concept of Solvation provides the new development within the statistical mechanics of molecular drinks utilized to the main interesting difficulties in chemistry this present day, together with chemical reactions, conformational balance of biomolecules, ion hydration, and electrode-solution interface. The continuum version of "solvation" has performed a dominant position in describing chemical techniques in resolution over the last century.
Read e-book online Physical Chemistry of Macromolecules: Basic Principles and PDF
Integrating assurance of polymers and organic macromolecules right into a unmarried textual content, actual Chemistry of Macromolecules is thoroughly established to supply a transparent and constant source for novices and execs alike. the fundamental wisdom of either biophysical and actual polymer chemistry is roofed, in addition to vital phrases, easy structural homes and relationships.
New PDF release: Advances in Chemical Physics Volume 140
This sequence offers the chemical physics box with a discussion board for severe, authoritative reviews of advances in each zone of the self-discipline.
This article bargains authoritative contributions from approximately two hundred leaders within the box and new the way to increase catalytic reactions. "Catalysis of natural Reactions" covers ways for designing, editing, and changing catalysts for more suitable functionality, functionality, and balance, methods to lessen spinoff formation, and reasonably-priced possible choices for the hydrogenation of natural compounds.
- Computational Chemical Graph Theory: Characterization, Enumeration, and Generation of Chemical Structures by Computer Methods
- Catalysis of organic reactions
- Surfactant Adsorption and Surface Solubilization
- A system of physical chemistry. Kinetics
- Advances in Chemical Physics: Monte Carlo Methods in Chemical Physics, Volume 105
Extra info for Molecular Theory of Solvation
Sample text
The interstitial model [51] explains the deviation in terms of “interstitial molecules” which spill out from the ice lattice owing to the breaking 24 Molecular theory of solvation of hydrogen-bonds. The mixture model [52] sees water as a mixture of two components, hydrogen-bonded clusters with ice-like structure and non-hydrogen bonded molecules, and interprets the deviation in term of the increased fraction of non-hydrogen bonded components compared to clusters. Each of those models could have explained relations between the structure characteristic to water with its thermodynamic properties to some extent.
94, 4683 (1990). [12] F. Hirata and R. M. Levy, Chem. Phys.
Redfern, and R. M. Levy, Int. J. Quantum Chem: Quantum Bio. , 15, 179 (1988). [11] B. Roux, H. A. Yu, and M. Karplus, J. Phys. , 94, 4683 (1990). [12] F. Hirata and R. M. Levy, Chem. Phys.
Molecular Theory of Solvation by F. Hirata
by Paul
4.4
