Computer-Aided Identification of Organic Molecules by their Molecular Spectra

摘要: I. INTRODUCTION In recent years the different branches of analytical chemistry, especially those dealing with identification individual molecules, as well qualitative and quantitative analysis molecular mixtures, have become increasingly important. Questions in these areas often arise solving a number global problems. For example, compounds produced chemical reactions under ordinary conditions is common, more work being done plasma, photochemistry interaction energies, laser synthesis, so on. The molecules associates also encountered regard to environmental pollution: organic impurities water, state atmosphere, biological objects, many others. It should be remembered that natural media enter into various change time, thus forming innumerable derivatives. Moreover, problem for industries automatic protection of...