Theoretical aspects of chemical reactivity /

Theoretical Aspects of Chemical Reactivity provides a broad overview of recent theoretical and computational advancements in the field of chemical reactivity. Contributions have been made by a number of leaders in the field covering theoretical developments to applications in molecular systems and c...

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Bibliographic Details
Corporate Author:	ScienceDirect (Online service)
Other Authors:	Toro-Labbé, Alejandro
Format:	eBook
Language:	English
Published:	Amsterdam ; Boston : Elsevier, 2007.
Edition:	1st ed.
Series:	Theoretical and computational chemistry ; 19.
Subjects:	Reactivity (Chemistry) Chemistry, Physical and theoretical. Chemistry, Physical Réactivité (Chimie) Chimie physique et théorique. physical chemistry. SCIENCE > Chemistry > Physical & Theoretical. Chemistry, Physical and theoretical Reaktivität Theoretische Chemie Electronic books.
Online Access:	Connect to the full text of this electronic book

Table of Contents:

Chapter 1. Chemical Reactivity and the Shape Function.
Chapter 2. Density Functional Theory Models of Reactivity Based on an Energetic Criterion.
Chapter 3. The Breakdown of the Maximum Hardness
and Minimum Polarizability Principles for Nontotally
Symmetric Vibrations.
Chapter 4. Classification of Control Space Parameters for Topological Studies of Reactivity and Chemical Reactions.
Chapter 5. Understanding and Using the Electron
Localization Function (ELF).
Chapter 6. Electronic Structure and Reactivity in Double of Rydberg Anions: Characterization of a Novel Kind of Electron Pair.
Chapter 7. Using the Reactivity-Selectivity Descriptor & Dgr;<IT>f(r)</IT> in Organic Chemistry.
Chapter 8. The Average Local Ionization Energy:
Concepts and Applications.
Chapter 9. The Electrophilicity Index in Organic Chemistry.
Chapter 10. Electronic Structure and Reactivity of
Aromatic Metal Clusters.
Chapter 11. Small Gold Clusters Form Nonconventional
Hydrogen Bonds X-H-Au: Gold-Water Clusters as Example.
Chapter 12. Theoretical Design of Electronically Stabilized Molecules Containing Planar Tetracoordinate Carbons.
Chapter 13. Chemical Reactivity Dynamics in Ground and Excited Electronic States.
Chapter 14. Quantum Chemical Topology and Reactivity: A Comparative Static and Dynamic Study on a S<INF>N</INF>2 Reaction.
Chapter 15. 1,4-Dihydropyridine Calcium Channel
Blockers with Electronic Descriptors Produced by
Quantum Chemical Topology.