Home » Chemical Concepts from Quantum Mechanics: Faraday Discussions No 135 by Royal Society of Chemistry
Chemical Concepts from Quantum Mechanics: Faraday Discussions No 135 Royal Society of Chemistry

Chemical Concepts from Quantum Mechanics: Faraday Discussions No 135

Royal Society of Chemistry

Published February 1st 2007
ISBN : 9780854049585
Hardcover
514 pages
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 About the Book 

Extracting chemical information from modern wave functions and from experimental high-resolution electron densities is a challenging but valuable task. Many chemical concepts have been introduced at an intuitive level, often in the distant past, and hence need to be continuously confronted and scrutinised against a wealth of data obtained from modern computer calculations and increasingly automated X-ray equipment. It is important to bridge the expanding gap between widely used chemical concepts and modern accurate physical and computational data on molecules. Some concepts are widely used in the primary chemical literature but their often vague and intuitive definition turns out to be the source of confusion and vigorous debate.