Solvent effects and chemical reactivity /

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...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Tapia, Orlando, 1938-, Bertrán, J. (Juan), 1931-
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Dordrecht ; Boston : Kluwer Academic Publishers, ©1996.
Colección:Understanding chemical reactivity ; v. 17.
Temas:
Reactivity (Chemistry)
Solution (Chemistry)
Solvation.
Solvents.
Solutions
Solvents
Réactivité (Chimie)
Solutions (Chimie)
Solvatation.
Solvants.
solution.
solvent.
Solvation
Acceso en línea:Texto completo
Tabla de Contenidos:
  • COVER
  • TABLE OF CONTENTS
  • PREFACE
  • 1. CONTINUUM SOLVATION MODELS
  • 2. THEORETICAL BASIS FOR THE TREATMENT OF SITY FUNCTIONAL THEORY SOLVENT EFFECTS IN THE CONTEXT OF DENSITY FUNCTIONAL THEORY
  • 3. MONTE CARLO SIMULATIONS OF CHEMICAL REACTIONS IN SOLUTION
  • 4. COMPUTER SIMULATION FOR CHEMICAL SYSTEMS: FROM VACUUM TO SOLUTION
  • 5. CROSSING THE TRANSITION STATE IN SOLUTION
  • 6. VALENCE BOND MULTISTATE APPROACH TO CHEMICAL REACTIONS IN SOLUTION
  • 7. QUANTUM THEORY OF SOLVENT EFFECTS AND CHEMICAL REACTIONS.

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