Applications of Topological Methods in Molecular Chemistry, 1st ed. 2016 Challenges and Advances in Computational Chemistry and Physics Series, Vol. 22
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.
• 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+.
The first book to feature complimentary topological methods
International array of contributors are leaders in their research area
Enriches understanding of topological analysis
Includes supplementary material: sn.pub/extras
Date de parution : 04-2018
Ouvrage de 586 p.
15.5x23.5 cm
Disponible chez l'éditeur (délai d'approvisionnement : 15 jours).
Prix indicatif 400,89 €
Ajouter au panierDate de parution : 05-2016
Ouvrage de 586 p.
15.5x23.5 cm