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Localization and Delocalization in Quantum Chemistry

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Cover of 'Localization and Delocalization in Quantum Chemistry'

Table of Contents

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    Book Overview
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    Chapter 1 Introduction to the Loge Theory
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    Chapter 2 Discussion of Daudel Contribution
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    Chapter 3 Comparison of Loge and Virial Methods of Partitioning Molecular Charge Distributions
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    Chapter 4 Summary of the Discussion of Professor Bader’s Paper
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    Chapter 5 Group Density Analysis of Molecular Wave Functions into Separated Elements
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    Chapter 6 Discussion of Constanciel Contribution: The Relationship between Functional Localization and the Operator ‘Number of Particles in a One-Particle Functional Subspace’
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    Chapter 7 Localization and Relocalization in Orbital Theories
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    Chapter 8 The Direct S.C.F. Computation of the Localised Molecular Orbitals of the Formaldehyde Molecule
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    Chapter 9 Summary of the Discussion of Professor Peters’ Paper
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    Chapter 10 Comments about the Communication of Professor Peters
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    Chapter 11 Relation between Localizability of Orbitals and Localizability of Electrons
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    Chapter 12 Localizability of Energy and Electronic Density in Molecules and Crystals
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    Chapter 13 Localization and Symmetry Breaking of Molecular Hartree-Fock Orbitals
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    Chapter 14 Localization and Correlation
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    Chapter 15 Empirical and Theoretical Partitions of the Molecular Energy into Local Contributions: Additive Systematic and Conformational Problems
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    Chapter 16 The Transferable Properties of Localized Orbitals
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    Chapter 17 The Nature of the Chemical Bond, an Energetic View
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    Chapter 18 The Localized Interpretation of the Observables of the Ground State
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    Chapter 19 A Discussion upon the Additivity Concept of Dipole Moments
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    Chapter 20 Remark on the Theoretical Foundation of the Vectorial Additive Systematics for the Molecular Dipole Moments
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    Chapter 21 Diamagnetic Susceptibilities and Electronic Delocalization
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    Chapter 22 Analysis of NMR and EPR Coupling Constants Using Localized Orbitals
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    Chapter 23 Nature and Classification of Chemical Bonds
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    Chapter 24 The Degree of Delocalization and its Relation with the Ground State Energy. The Problem of Aromaticity
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    Chapter 25 How Delocalized Molecular Orbitals are Built by the Interaction of Localized Group Orbitals
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    Chapter 26 Lone Pairs in Organic Molecules and How They Determine Conformations
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    Chapter 27 Sizes and Shapes of Electron Pairs
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2 Wikipedia pages

Citations

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159 Dimensions

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5 Mendeley
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Title
Localization and Delocalization in Quantum Chemistry
Published by
Springer Netherlands, December 2012
DOI 10.1007/978-94-010-1778-7
ISBNs
978-9-40-101780-0, 978-9-40-101778-7
Editors

Chalvet, Odilon, Daudel, Raymond, Diner, Simon, Malrieu, Jean Paul

Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 5 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 5 100%

Demographic breakdown

Readers by professional status Count As %
Researcher 2 40%
Student > Ph. D. Student 1 20%
Professor 1 20%
Unknown 1 20%
Readers by discipline Count As %
Chemistry 2 40%
Materials Science 1 20%
Unknown 2 40%