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Comparative analysis of effective atomic charges in the N-methylmorpholine-N-oxide molecule
Authors:N P Novoselov  E S Sashina  A P Kuznetsova  V E Petrenko
Institution:(1) State University of Technology and Design, Bol’shaya Morskaya ul. 18, St. Petersburg, 191065, Russia;(2) Institute of Chemistry of Solutions, Russian Academy of Sciences, ul. Akademicheskaya 1, Ivanovo, 153045, Russia
Abstract:The literature data and our quantum-chemical electron density distribution calculations were compared with experiment for the N-methylmorpholine-N-oxide molecule
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