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
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
Cite
Domenicano, Aldo, and István Hargittai (eds), Accurate Molecular Structures: Their Determination and Importance (Oxford , 1992; online edn, Oxford Academic, 31 Oct. 2023), https://doi.org/10.1093/oso/9780198555568.001.0001, accessed 22 Apr. 2025.
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.
Collection:
Oxford Scholarship Online
Contents
-
Front Matter
-
1
Structural chemistry
Massimo Simonettat† andAngelo Gavezzotti
-
2
The potential energy surface and the meaning of internuclear distances
Kozo Kuchitsu
-
3
Reliability of structure determinations by microwave spectroscopy
Bouke P van Eijck
-
4
Determination of accurate molecular structure by vibration−rotation spectroscopy
Georges Graner
-
5
Gas-phase electron diffraction
István Hargittai
-
6
X-ray crystallography: an introduction
Jenny P Glusker andAldo Domenicano
-
7
Measurement of accurate Bragg intensities
Paul Seiler
-
8
Diffraction studies of molecular motion in crystals
Kenneth N Trueblood
-
9
Lattice-dynamical interpretation of crystallographic thermal parameters
Carlo M Gramaccioli
-
10
The role of electron density in X-ray crystallography
Fred L Hirshfeldt
-
11
Accurate crystal structure analysis by neutron diffraction
George A Jeffrey
-
12
Nuclear magnetic resonance spectroscopy and accurate molecular geometry
Peter Diehl
-
13
Quantum mechanical determination of static and dynamic structure
James E Boggs
-
14
Molecular mechanics
Norman L Allinger
-
15
Crystallographic databases: retrieval and analysis of precise structural information from the Cambridge Structural Database
Frank H Allen
-
16
The importance of accurate structure determination in organic chemistry
Georges Wipff andStéphane Boudon
-
17
Structure correlations, reaction pathways, and energy surfaces for chemical reactions
Valeria Ferretti and others
-
18
Structural substituent effects in benzene derivatives
Aldo Domenicano
-
19
Effect of crystal environment on molecular structure
Joel Bernstein
-
20
The importance of accurate structure determination in inorganic chemistry
Jeremy K Burdett
-
21
Structural variability in metal cluster compounds
Vincenzo G Albano andDario Braga
© Oxford University Press 1992
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