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Accurate Molecular Structures: Their Determination and Importance

Online ISBN:
9781383028485
Print ISBN:
9780198555568
Publisher:
Oxford University Press
Book

Accurate Molecular Structures: Their Determination and Importance

Aldo Domenicano (ed.),
Aldo Domenicano
(ed.)
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István Hargittai (ed.)
István Hargittai
(ed.)
University of L’Aquila and CNR, Institute of Structural Chemistry
Hungarian Academy of Sciences and Technical University of Budapest
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Published online:
31 October 2023
Published in print:
19 March 1992
Online ISBN:
9781383028485
Print ISBN:
9780198555568
Publisher:
Oxford University Press

Abstract

Modern experimental and computational techniques are capable of determining bond lengths and angles with precisions of a few thousandths of an ångström 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. Here, internationally respected authors present all modern experimental and computational techniques for the determination of accurate molecular structures for the first time in one volume. They establish guidelines for accuracy requirements in answering broadly varying questions in current chemical research.

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