| VIII Girona Seminar lectures |
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Ayers, Paul W. (Links between the dual descriptor and hyperpolarizability) Baerends, Evert Jan (The role of the Fermi surface in adsorbate-metal-interactions: an energy decomposition analysis) Bickelhaupt, F. Matthias (Aromaticity.Molecular Orbital Picture of an Intuitive Concept) Boldyrev, Alexander (Multiple aromaticity, conflicting aromaticity and multiple antiaromaticity in clusters) Bultinck, Patrick (Quantifying degrees of local aromaticity through multicenter indices) Carbo-Dorca, Ramón (Expectation value averages of size consistent Hermitian operators and the definition of Fukui functions) Cioslowski, Jerzy (Many- electron Harmonium Atoms) Cooper, David (Spin-coupled studies of aromatic systems) Corminboeuf, Clémence (Correlation of resonance energy and magnetic shielding in polycyclic aromatic hydrocarbons) Cossío, Fernando P. (Recent results on the aromaticity of pericyclic reactions) Deumal, Mercè (Molecular Magnetism in spin polarized radicals: a micro-to-macro approach) Feixas, Ferran (Analysis of Hückel?s [4n+2] rule through electronic delocalization measures) Fias, Stijn (Principles and application of the self-consistent hirshfeld atoms-in-molecules method) Fowler, Patrick W. (Connections: Aromaticity and molecular conduction) Frenking, Gernot (Direct Estimate of Conjugation, Hyperconjugation and Aromaticity with the EDA Method) Galembeck, Sergio (Effects of substituents on the electronic structure of [2,2]paracyclophane) Gallegos, Ana (Modelling structure property relationships of carbon nanoneedles) Geerlings, Paul (Conceptual DFT from local aromaticity to the Woodward-Hoffmann rules) Herradón, Bernardo (Quantification of aromaticity through neural networks) Kristyan, Sandor (Properties of the multi-electron densities "between" the Hohenberg-Kohn theorems and variational principle.) Krygowski, T. Marek (Aromaticity. What does it mean?) Mandado, Marcos (Applications of Multicenter Electron Delocalization Analysis to Different Chemical Topics) Martín, Fernando ( Electronic structure of positively and negatively charged fullerenes) Martín-Pendás, Angel (Coarse graining in real space and chemical bonds: resonance structures, fermi holes, and electron number distribution functions) Matito, Eduard (On the extrapolation of the PES using derivative information) Matta, Cherif (A QTAIM study of DNA bases) Mayer, István (Compact presentation and effective interpretation of wave functions of electronically excited states) Menéndez, Mª Isabel (Aromaticity, pyrrol inversion and planarity in 5,10,15,20-tetraphenyl-26,28-diheterosapphyrins) Merino, Gabriel (Application of the induced magnetic field) Migani, AnnaPaola (DFT+U Studies of model cerium oxide nanoparticles) Oliva, Josep M. (Composite-system models) Osuna, Sílvia (The role of local aromaticity in the fluorination process of carbon nanotubes) Palusiak, Marcin (Application of AIM Parameters at Ring Critical Points for Estimation of Pi-Electron Delocalization in Six-Membered Aromatic and Quasi-Aromatic Rings) Piris, Mario (NOF: Making its way towards a reliable computational method) Poater, Albert (Probing the Mechanism of the Double C-H (De)Activation Route of a Ru-based Olefin Metathesis Catalyst) Ponec, Robert (Structure and bonding in binuclear metal carbonyls from the analysis of domain averaged Fermi holes) Popelier, Paul L. A. (Quantum chemical topology) Ruedenberg, Klaus (Covalent bonding, electron sharing, physical understanding and variational reasoning) Schleyer, Paul V. R. (Evaluating aromatic stabilization energies and other virtual quantities) Shishkin, Oleg (Conformation flexibility of aromatic systems. New dimension of aromaticity) Soncini, Alessandro (Toroidal Magnetic States in Molecular Wheels) Swart, Marcel (Accurate spin state energies) Torrent-Sucarrat, Miquel (Local Softness and Hardness as Aromaticity Descriptors) Ugalde, Jesús (Sandwich complexes made of functionalized all-metal aromatic rings) van Damme, Sofie (3D QSAR with molecular interaction fields based on conceptual DFT local properties) Voityuk, Alexander (Thermochemistry of Large Hydrocarbons and Fullerens. Back to Extended Hückel Method ?) Vyboishchikov, Sergei (Theoretical studies of silylium cations with agostic Si···H···Si interactions) Zanasi, Ricardo (Ring current calculation, visualization and interpretation in some coronene-like molecules) Zborowski, Krzysztof (Aromaticity vs stability of chelate complexes.) |