Applications of Topological Methods in Molecular Chemistry
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- Artikel-Nr.: 10465807
Beschreibung
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 ElectronDensity-Weighted Connectivity Matrices: A Bridge Between the Quantum Theory ofAtoms in Molecules and Chemical Graph Theory.- 3) Shant Shahbazian, Extending the Topological Analysis and Seekingthe Real-Space Subsystems: The Case of Non-Coulombic Systems with Homogenous PotentialEnergy Functions.- 4) Carlo Gatti, Ahmed M. Orlando,Emanuele Monza and Leonardo Lo Presti, Exploring Chemistry Throughthe Source Function for the Electron and Spin Densities.- 5) A.Martin Pendas, E. Francisco, A. Gallo Bueno, J. M. Guevara Vela, and A. Costal,EmergentScalar and Vector Fields in Quantum Chemical Topology.- 6) Paolo Lazzeretti, Topologyof Quantum Mechanical Current Density VectorFields Induced in a Molecule by Static Magnetic Perturbations.- 7) P.Fuentealba, C. Cardenas, R. Pino-Rios and W. Tiznado, Topological Analysisof the Fukui Function.- 8)Paul G. Mezey, Topological Tools forthe Study of Families of Reaction Mechanisms: the Fundamental Groups of PotentialSurfaces in the Universal Molecule Context.- 9)Juan Andrés, Lourdes Gracia, Patricio González-Navarrete, and Vicent S. Safont,Quantum Chemical TopologyApproach for Dissecting Chemical Structure and Reactivity.- Part II.Topological Methods for the Characterization of pi-Electron Delocalization and Aromaticity.-10) I. Gutman and S. Radenkovic, Paradise Lost - pi-Electron Conjugation in Homologs andDerivatives 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,LocalizedStructures at the Hückel Level, a Hückel-Derived Valence Bond Method.- 13) Jean-Paul Malrieu, NicolasFerré and Nathalie Guihéry, Magnetic Properties of Conjugated Hydrocarbonsfrom 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 DensityDistribution?.- 15) Laurent Joubert and Vincent Tognetti, Following Halogen Bonds Formation withBader's Atoms-in-Molecules Theory.- 16) Kateryna Mykolayivna-Lemishko,Giovanni Bistoni, Leonardo Belpassi, Francesco Tarantelli, M. MercedMontero-Campillo and Manuel Yáñez, ChargeTransfer in Beryllium Bonds and Cooperativity of Beryllium and Halogen Bonds.- 17)Christophe Narth, Zeina Maroun, Roberto A. Boto, Robin Chaudret, Marie-LaureBonnet, Jean-Philip Piquemal and Julia Contreras-Garcia, A Complete NCI Perspective: FromNew Bonds to Reactivity.- 18)Slawomir Berski and Agnieszka J. Gordon, Diversity of the Nature ofthe Nitrogen-Oxygen Bond in Inorganic and Organic Nitrites in the Light of TopologicalAnalysis of Electron Localisation Function (ELF).- 19)Mohamed Amaouch, Eric Renault, Gilles Montavon, Nicolas Galland and JulienPilmé, Quantum Chemical Topology in the Field of Quasirelativistic QuantumCalculations.
Eigenschaften
Breite: | 155 |
Gewicht: | 9975 g |
Höhe: | 235 |
Seiten: | 586 |
Sprachen: | Englisch |
Autor: | Bernard Silvi, Christine Lepetit, Esmail Alikhani, Remi Chauvin |