Microscopic investigations chemical reactions

The concept of macroscopic kinetics avoids the difficulties of microscopic kinetics [46, 47] This method allows a very compact description of different non-thennal plasma chemical reactors working with continuous gas flows or closed reactor systems. The state of the plasma chemical reaction is investigated, not in the active plasma zone, but... 

With respect to liquids, reactions in matrices may be easier to study as diffusional and rotational motions of solvent molecules are missing in solids, and moreover, due to their crystalline order, zeolites may be viewed eis simple environments where a chemical reaction can be investigated microscopically. 

The advances in the molecular design of new polymeric materials with targeted properties require advanced molecular characterization of the polymers. ESR techniques are among the methods under continuous development in the quest for more comprehensive physical and chemical information that could correlate microscopic properties with materials performance. ESR spectroscopy has been used in various areas of polymer science, with different goals, such as to study mechanisms of chemical reactions in polymerization and radiation effects, to identify intermediate species, to observe decay and conversion of different species, or to investigate relaxation phenomena of polymer chains by observing temperature-dependent ESR spectra of radical species trapped in solid and liquid polymers. 

The PES concept forms the basis for a variety of theories, models and methods for the study of chemical reactivity. These methods represent a variety of classical, semiclassical, and completely quantum-mechanical methodologies with different degrees of accuracy and applicability to perform calculations of microscopic and macroscopic attributes of chemical reactions. Beyond the investigation of reaction mechanisms, problems which arise from multiphoton excitations in a hypothetical mode-specific chemistry may also be analysed on the basis of the PES concept. Its realization depends on the extent of the intramolecular vibrational redistribution (IVR) which may also be attributed to special PES properties. 

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