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New Theoretical Concepts for Understanding Organic Reactions

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Cover of 'New Theoretical Concepts for Understanding Organic Reactions'

Table of Contents

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    Book Overview
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    Chapter 1 Multidimensional Theoretical Stereochemistry and Conformational Potential Energy Surface Topology
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    Chapter 2 Some Practical Suggestions for Optimizing Geometries and Locating Transition States
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    Chapter 3 Reaction Topology and Quantum Chemical Molecular Design on Potential Energy Surfaces
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    Chapter 4 Topology of Molecular Shape and Chirality
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    Chapter 5 Adiabatic and Diabatic Surfaces in the Treatment of Chemical Reactivity I Theory
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    Chapter 6 Adiabatic and Diabatic Surfaces in the Treatment of Chemical Reactivity II an Illustrative Application to the Diels Alder Reaction
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    Chapter 7 A Qualitative Valence Bond Model for Organic Reactions
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    Chapter 8 Solvent Effects on Potential Energy Surfaces and Chemical Kinetics
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    Chapter 9 Modifications of Potential Energy Surfaces by Solvation and Catalysis
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    Chapter 10 Computational Tests of Potential Energy Surfaces from Dynamical Properties
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    Chapter 11 Dynamical Formulation of Transition State Theory: Variational Transition States and Semiclassical Tunneling
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    Chapter 12 Theoretical Models for Reaction Dynamics in Polyatomic Molecular Systems
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    Chapter 13 Practical Applications of New Theoretical Concepts in Organic Chemistry
Attention for Chapter 13: Practical Applications of New Theoretical Concepts in Organic Chemistry
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Chapter title
Practical Applications of New Theoretical Concepts in Organic Chemistry
Chapter number 13
Book title
New Theoretical Concepts for Understanding Organic Reactions
Published by
Springer, Dordrecht, January 1989
DOI 10.1007/978-94-009-2313-3_13
Book ISBNs
978-9-40-107539-8, 978-9-40-092313-3
Authors

A. Bottoni, M. Duran, J. M. Lluch, M. R. Peterson

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