Accurate Molecular Structures: Their Determination and Importance (International Union of Crystallography Book Series,...

Features

• Cover Type: Hard Cover with 608 pages
• Published by: Oxford University Press, USA April 23, 1992
• Written in: English
• ISBN 10 Number: 0198555563
• ISBN 13 Number: 978-0198555568
• Book Dimensions: 9.6 x 6.5 x 1.5 inches
• Weighs: 2.2 pounds

Product Review
`The authors of the various chapters and the editors have evidently put in a great deal of work, with the result that most contributions have gained in thoroughness, perspective, and clarity the original lecture notes have been transformed into an important book which will remain the standard woprk for teachers, students and researchers for many years to come.' Jack D. Dunitz, Laboratorium fur organische Chemie, CH-8092 Zurich, Journal of Applied Crystallography, (1993)

`. . . an important book which will remain the standard work for teachers, students, and researchers for years to come.' Acta Crystallographica

Product Description
Modern experimental and computational techniques are capable of determining bond lengths and angles with precisions of a few thousandths of an angstrom and a few tenths of a degree. Such precisions are meaningful only if they are coupled with rigorous error analysis and careful evaluation of the physical meaning of the parameters. This book demonstrates the meaning and applicability of accurate structures and their variations following a rigorous exposure of the demands and caveats in their determination. It establishes guidelines for accuracy requirements in answering broadly varying questions in current chemical research. The 21 chapters by internationally recognized authors discuss the following topics: potential energy surfaces; microwave, infrared, and liquid crystal NMR spectroscopies; gas phase electron diffraction; X-ray and neutron crystallography; electron density studies; ab initio molecular orbital methods and molecular mechanics calculations; the use of structural databases; applications to organic inorganic and organometallic chemistry; studies of reaction pathways; effects of substitution and crystal environment on molecular structure.