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Computational Strategies for Spectroscopy: from Small by Vincenzo Barone

By Vincenzo Barone

Computational spectroscopy is a swiftly evolving box that's changing into a flexible and common instrument for the task of experimental spectra and their interpretation as with regards to chemical actual results. This ebook is dedicated to the main major methodological contributions within the box, and to the computation of IR, UV-VIS, NMR and EPR spectral parameters near to the underlying vibronic and environmental results. every one part starts off with a bankruptcy written through an experimental spectroscopist facing current demanding situations within the diverse fields; complete insurance of traditional and complex spectroscopic options is supplied via devoted chapters written via specialists. Computational chemists, analytical chemists and spectroscopists, physicists, fabrics scientists, and graduate scholars will make the most of this thorough source.

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