Crystal Structure Determination: The Role of the Cosine Seminvariants

Author:   H. Hauptman
Publisher:   Springer-Verlag New York Inc.
Edition:   Softcover reprint of the original 1st ed. 1972
ISBN:  

9781468499568


Pages:   407
Publication Date:   16 December 2012
Format:   Paperback
Availability:   Manufactured on demand   Availability explained
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Crystal Structure Determination: The Role of the Cosine Seminvariants


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Overview

The central theme of this monograph is that the cosine seminvariants are the key to crystal structures. The cosine seminvariants are the cosines of those linear combinations of the phases (the so-called structure seminvariants) whose values, for a given functional form for the geometric structure factor, are uniquely determined by the crystal structure alone and are there­ fore independent of the choice of permissible origin. It follows that the cosine seminvariants themselves are uniquely determined, in general, by the observed magnitudes of the normalized structure factors. The values of the cosine seminvariants in turn lead unambiguously to the values of the individual phases and thus to the crystal structure by means of the E-map (Fourier synthesis). It is this property of the cosine seminvariants, that they serve to link the observed magnitudes with the desired phases of the normalized structure factors, which accounts for their importance and explains the emphasis which is here placed on their role.

Full Product Details

Author:   H. Hauptman
Publisher:   Springer-Verlag New York Inc.
Imprint:   Springer-Verlag New York Inc.
Edition:   Softcover reprint of the original 1st ed. 1972
Dimensions:   Width: 17.80cm , Height: 2.20cm , Length: 25.40cm
Weight:   0.795kg
ISBN:  

9781468499568


ISBN 10:   1468499564
Pages:   407
Publication Date:   16 December 2012
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Paperback
Publisher's Status:   Active
Availability:   Manufactured on demand   Availability explained
We will order this item for you from a manufactured on demand supplier.

Table of Contents

A. The Theoretical Basis.- I. The Phase Problem.- II. Explicit Formulas for the Cosine Seminvariants: The Algebraic Approach.- III. The Joint Probability Distribution of Two Structure Factors and Related Conditional Distributions and Expectation Values.- IV. Probability Distribution of Three Structure Factors and Applications.- B. Techniques of Implementation.- V. The Calculation of the Cosine Seminvariants.- VI. Using Calculated Cosines to Determine Values of Initial Phases.- VII. The Tangent Techniques.- C. The Applications.- VIII. Two Androstane Derivatives; Least-Squares Analysis of the Cosine Invariants.- IX. The Estradiol · Urea Complex and 6?-Fluorocortisol; Two-Dimensional Invariants.- X. Hexestrol; Quadruples.- XI. 9?-Fluorocortisol; Pairs.- XII. Valinomycin; Strong Enantiomorph Discrimination.- XIII. 9-t-Butyl 9,10-Dihydroanthracene; Modified Tangent Procedure.

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