DFT calculations Iridium Fluorescence CRESU Heterocycles Molybdenum Catalysis Palladium Photoluminescence Molecular physics Crystal structure Lanthanides PhDtitle X-ray diffraction Kinetics Electronic structure Chalcogenide glasses Zinc Perovskites Arylation Chirality Thin film Cluster compounds Chalcogenide Line identification Ab initio calculations Water Chalcogenide glass ISM molecules Astrochemistry Optical fiber Glasses Luminescence NMR Ketones Density functional calculations Transition metals Energy transfer Molecular data Ferrocene Copper Liquid crystals Modeling Atomic and molecular collisions Nonlinear optics Quantum dynamics Glass Density functional theory Foams Charge transfer Raman spectroscopy Nanoparticles Protéine Mass transfer Gold Optical properties Hydrogenation Electrochemistry MCTDH Phase transitions Infrared thermography Biodegradation Ruthenium Microstructure Cyclic voltammetry Crystallization Mechanical properties Photocatalysis Molecules Ring-opening polymerization Olefin metathesis Thin films Oxidation Ligands Adsorption Rheology Helicenes Synthesis Pulsed laser deposition DFT Silicon Spectroscopy Nickel Magnetic properties Chalcogenides Homogeneous catalysis Structure Two-photon absorption Helium clusters Dysprosium Hydrosilylation Optical fibers Polymers Absorption Iron Cold and ultra-cold collisions Titanium alloys Interface Reduction Tetrathiafulvalene