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Accurate Molecular Structures - Their Determination and Importance (Hardcover, New)
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Accurate Molecular Structures - Their Determination and Importance (Hardcover, New)
Series: International Union of Crystallography Monographs on Crystallography, 1
Expected to ship within 12 - 17 working days
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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.
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