7 Topology of Quantum Mechanical Current Density Vector
Fields Induced in a Molecule by Static Magnetic Perturbations . . . 151
P. Lazzeretti
8 Topological Analysis of the Fukui Function . . . . . . . . . . . . . . . . . . 227
P. Fuentealba, C. Cardenas, R. Pino-Rios and W. Tiznado
9 Topological Tools for the Study of Families of Reaction
Mechanisms: The Fundamental Groups of Potential Surfaces
in the Universal Molecule Context . . . . . . . . . . . . . . . . . . . . . . . . 243
Paul G. Mezey
10 Quantum Chemical Topology Approach for Dissecting
Chemical Structure and Reactivity . . . . . . . . . . . . . . . . . . . . . . . . 257
Juan Andrés, Lourdes Gracia, Patricio González-Navarrete
and Vicent S. Safont
Part II Topological Methods for the Characterization
of p-Electron Delocalization and Aromaticity
11 Paradise Lost—p-Electron Conjugation in Homologs
and Derivatives of Perylene . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 297
Ivan Gutman and Slavko Radenković
12 Rules of Aromaticity . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 321
Ferran Feixas, Eduard Matito, Jordi Poater and Miquel Solà
13 Localized Structures at the Hückel Level, a Hückel-Derived
Valence Bond Method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 337
Yannick Carissan, Nicolas Goudard, Denis Hagebaum-Reignier
and Stéphane Humbel
14 Magnetic Properties of Conjugated Hydrocarbons
from Topological Hamiltonians . . . . . . . . . . . . . . . . . . . . . . . . . . . 361
Jean-Paul Malrieu, Nicolas Ferré and Nathalie Guihéry
Part III Topological Methods for the Characterization
of Weak Bonding Interactions
15 What Can Be Learnt from a Location of Bond Paths
and from Electron Density Distribution. . . . . . . . . . . . . . . . . . . . . 399
Sławomir J. Grabowski
16 Following Halogen Bonds Formation with Bader’s
Atoms-in-Molecules Theory . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 435
Vincent Tognetti and Laurent Joubert
viii
Contents
Fields Induced in a Molecule by Static Magnetic Perturbations . . . 151
P. Lazzeretti
8 Topological Analysis of the Fukui Function . . . . . . . . . . . . . . . . . . 227
P. Fuentealba, C. Cardenas, R. Pino-Rios and W. Tiznado
9 Topological Tools for the Study of Families of Reaction
Mechanisms: The Fundamental Groups of Potential Surfaces
in the Universal Molecule Context . . . . . . . . . . . . . . . . . . . . . . . . 243
Paul G. Mezey
10 Quantum Chemical Topology Approach for Dissecting
Chemical Structure and Reactivity . . . . . . . . . . . . . . . . . . . . . . . . 257
Juan Andrés, Lourdes Gracia, Patricio González-Navarrete
and Vicent S. Safont
Part II Topological Methods for the Characterization
of p-Electron Delocalization and Aromaticity
11 Paradise Lost—p-Electron Conjugation in Homologs
and Derivatives of Perylene . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 297
Ivan Gutman and Slavko Radenković
12 Rules of Aromaticity . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 321
Ferran Feixas, Eduard Matito, Jordi Poater and Miquel Solà
13 Localized Structures at the Hückel Level, a Hückel-Derived
Valence Bond Method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 337
Yannick Carissan, Nicolas Goudard, Denis Hagebaum-Reignier
and Stéphane Humbel
14 Magnetic Properties of Conjugated Hydrocarbons
from Topological Hamiltonians . . . . . . . . . . . . . . . . . . . . . . . . . . . 361
Jean-Paul Malrieu, Nicolas Ferré and Nathalie Guihéry
Part III Topological Methods for the Characterization
of Weak Bonding Interactions
15 What Can Be Learnt from a Location of Bond Paths
and from Electron Density Distribution. . . . . . . . . . . . . . . . . . . . . 399
Sławomir J. Grabowski
16 Following Halogen Bonds Formation with Bader’s
Atoms-in-Molecules Theory . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 435
Vincent Tognetti and Laurent Joubert
viii
Contents