Applications of Topological Methods in Molecular Chemistry (eBook)

Prof. Dr.Remi CHAUVIN • Professor at the University Paul Sabatier (UPS, Toulouse 3). • 133 publications (including 5 proceedings and flash infos) • 4 book chapters. • 4 patents. • AERES ranking of the research group at LCC (march 2010): A+.

Part I. Topological Methods : Definition, State of the Art and Prospects.-
1) Paul Popelier, On quantum chemical topology.- 2) Chérif F. Matta, Ismat Sumar,
Ronald Cook, and Paul W. Ayers, Localization-Delocalization and Electron
Density-Weighted Connectivity Matrices: A Bridge Between the Quantum Theory of
Atoms in Molecules and Chemical Graph Theory.- 3) Shant Shahbazian, Extending the Topological Analysis and Seeking
the Real-Space Subsystems: The Case of Non-Coulombic Systems with Homogenous Potential
Energy Functions.- 4) Carlo Gatti, Ahmed M. Orlando,
Emanuele Monza and Leonardo Lo Presti, Exploring Chemistry Through
the Source Function for the Electron and Spin Densities.- 5) A.
Martın Pendas, E. Francisco, A. Gallo Bueno, J. M. Guevara Vela, and A. Costal,
Emergent
Scalar and Vector Fields in Quantum Chemical Topology.- 6) Paolo Lazzeretti, Topology
of Quantum Mechanical Current Density Vector
Fields Induced in a Molecule by Static Magnetic Perturbations.- 7) P.
Fuentealba, C. Cardenas, R. Pino-Rios and W. Tiznado, Topological Analysis
of the Fukui Function.- 8)
Paul G. Mezey, Topological Tools for
the Study of Families of Reaction Mechanisms: the Fundamental Groups of Potential
Surfaces in the Universal Molecule Context.- 9)
Juan Andrés, Lourdes Gracia, Patricio González-Navarrete, and Vicent S. Safont,
Quantum Chemical Topology
Approach for Dissecting Chemical Structure and Reactivity.- Part II.
Topological Methods for the Characterization of π-Electron Delocalization and Aromaticity.-
10) I. Gutman and S. Radenkovic, Paradise Lost - π-Electron Conjugation in Homologs and
Derivatives of Perylene.- 11)
F. Feixas, E. Matito, J. Poater and M. Solà, Rules of Aromaticity.-
12) Yannick Carissan, Nicolas Goudard, Denis Hagebaum-Reignier, Stéphane Humbel,
Localized
Structures at the Hückel Level, a Hückel-Derived Valence Bond Method.- 13) Jean-Paul Malrieu, Nicolas
Ferré and Nathalie Guihéry, Magnetic Properties of Conjugated Hydrocarbons
from Topological Hamiltonians.-
Part III.
Topological Methods for the Characterization of Weak Bonding Interactions.-
14) Slawomir Grabowski, What Can be Learnt from a Location of Bond Paths and from Electron Density
Distribution?.- 15) Laurent Joubert and Vincent Tognetti, Following Halogen Bonds Formation with
Bader’s Atoms-in-Molecules Theory.- 16) Kateryna Mykolayivna-Lemishko,
Giovanni Bistoni, Leonardo Belpassi, Francesco Tarantelli, M. Merced
Montero-Campillo and Manuel Yáñez, Charge
Transfer in Beryllium Bonds and Cooperativity of Beryllium and Halogen Bonds.- 17)
Christophe Narth, Zeina Maroun, Roberto A. Boto, Robin Chaudret, Marie-Laure
Bonnet, Jean-Philip Piquemal and Julia Contreras-Garcıa, A Complete NCI Perspective: From
New Bonds to Reactivity.- 18)
Slawomir Berski and Agnieszka J. Gordon, Diversity of the Nature of
the Nitrogen-Oxygen Bond in Inorganic and Organic Nitrites in the Light of Topological
Analysis of Electron Localisation Function (ELF).- 19)
Mohamed Amaouch, Eric Renault, Gilles Montavon, Nicolas Galland and Julien
Pilmé, Quantum Chemical Topology in the Field of Quasirelativistic Quantum
Calculations.