Computing Applications in Molecular Spectroscopy

This book brings together several branches of molecular spectroscopy and a range of applications of modern computer methods, particularly those dependent on data handling and information technology, to address problems that have become more accessible through increasing computer power. It follows on from an earlier RSC publication entitled 'Computer Methods in UV, Visible and IR Spectroscopy', published in 1990, and brings the subject up to date. Computing Applications in Molecular Spectroscopy is written by leading experts in the field and provides coherent and progressive coverage of the topic. It fulfils a need for systematic presentation of the facts, where the information generally available is highly fragmented, and also provides examples of the use of computer power to improve the understanding of basic theory. Interest in interfacing computing and spectroscopy is wide, spanning industry, government and academia the world over. Computing Applications in Molecular Spectroscopy will provide graduates, researchers and professionals involved in areas such as applied spectroscopy, chemometrics, forensic science, environmental chemistry, and pollution research with a valuable insight into the spectroscopic applications of the latest computer methods.