Solvent Effects and Chemical Reactivity

• Corporate Author: SpringerLink (Online service)
• Other Authors: Tapia, Orlando. (Editor), Bertrán, Juan. (Editor)
• Format: Electronic
• Language: English
• Published: Dordrecht : Springer Netherlands, 2002.
• Series: Understanding Chemical Reactivity ; 17
• Subjects: Chemistry.; Chemoinformatics.; Physical chemistry.; Biochemistry.; Condensed matter.; Physical Chemistry.; Computer Applications in Chemistry.; Biochemistry, general.; Condensed Matter Physics.
• Online Access: View fulltext via EzAccess

This book gathers original contributions from a selected group of distinguished researchers that are actively working in the theory and practical applications of solvent effects and chemical reactions. The importance of getting a good understanding of surrounding media effects on chemical reacting s...

Table of Contents:

• Continuum Solvation Models
• Theoretical Basis for the Treatment of Solvent Effects in the Context of Density Functional Theory
• Monte Carlo Simulations of Chemical Reactions in Solution
• Computer Simulation for Chemical Systems: from Vacuum to Solution
• Crossing the Transition State in Solution
• Valence Bond Multistate Approach to Chemical Reactions in Solution
• Quantum Theory of Solvent Effects and Chemical Reactions.