ENGLISH

Direct Methods of Solving Crystal Structures

By Henk Schenk

Book information

Publisher
Springer US
Year
1991
ISBN
978-0-306-44040-3;978-1-4899-3692-9
Language
english
Format
PDF
Filesize
35 MB (36232624 bytes)
Series
Nato Science Series B: 274
Edition
1st ed.
Pages
X, 446\436
Time added
2019-09-18 12:16:56
Chemistry; Physical Chemistry; Solid State Physics

Description

Front Matter ....Pages i-ix An Elementary Introduction to Direct Methods (H. Schenk)....Pages 1-8 Structure Factor Algebra: Structure Invariants and Seminvariants (George M. Sheldrick)....Pages 9-19 Structure Invariants, Seminvariants and Origin Definition (H. Krabbendam)....Pages 21-39 The Sayre Equation (Michael M. Woolfson)....Pages 41-45 The Cochran Distribution (Michael M. Woolfson)....Pages 47-51 Determinantal Inequalities Lead to Triplet and Quartet Relationships (Herbert A. Hauptman)....Pages 53-56 The Calculation of Normalized Structure Factors and of Triplet Invariants (Davide Viterbo)....Pages 57-69 Starting Set Determinaton (Paul T. Beurskens)....Pages 71-75 Symbolic Addition (Henk Schenk)....Pages 77-85 Tangent Formula, Tangent Refinement and Multisolution Methods (Michael M. Woolfson)....Pages 87-102 Quartets and Other Phase Relationships (H. Schenk)....Pages 103-110 The Joint Probability Distribution of Three Structure Factors Leading to a Distribution for the Triplet Phase Sum (René Peschar)....Pages 111-119 Some Applications of Probability Theory in Direct Methods (Suzanne Fortier, Ian R. Castleden)....Pages 121-128 The Neighborhood Principle and the Extension Concept (Herbert A. Hauptman)....Pages 129-145 The Method of Representations of Structure Seminvariants I: The General Background (C. Giacovazzo)....Pages 147-155 Introduction to Maximum Entropy (Gérard Bricogne)....Pages 157-175 Direct Methods Packages in 1990 (C. J. Gilmore)....Pages 177-186 Patterson Methods (Patrick Tollin)....Pages 187-196 Optimal Symbolic Phase Determination (René Peschar, Henk Schenk)....Pages 197-201 Random Approaches to the Phase Problem (Michael M. Woolfson)....Pages 203-213 Maximum Entropy and the Saddlepoint Method (Gérard Bricogne)....Pages 215-232 The Method of Representations of Structure Seminvariants II : Some Applications (C. Giacovazzo)....Pages 233-241 Structure Determination by the Representation Method (Davide Viterbo)....Pages 243-252 SIMPEL83, A Symbolic Addition Program System for Direct Methods Based on Higher Invariants (Henk Schenk)....Pages 253-263 Direct Methods for Modulated Structures (Fan Hai-fu)....Pages 265-272 Results on the Application of Direct Methods to Protein Crystallgraphy and Electron Microscopy (Fan Hai-fu)....Pages 273-274 Direct Phase Determination in the Electron Crystallography of Organic Compounds (Douglas L. Dorset)....Pages 275-280 From Partial Structure to Completeness — Direct Methods Applied to Difference Structure Factors (Paul T. Beurskens, Cornelia Smykalla)....Pages 281-290 Phase Annealing (George M. Sheldrick)....Pages 291-302 Solving Difficult Structures Including Those from Powder and Electron Diffraction Data (C. J. Gilmore)....Pages 303-309 Direct Methods for Macromolecular Crystallography (Suzanne Fortier)....Pages 311-333 SIR, SAD, MAD, DM: Integrated Methods (H. Krabbendam)....Pages 335-351 Note on “Superlarge” Structures and Their Phase Problem (David Sayre)....Pages 353-356 Some Exercises in Direct Methods (Henk Schenk, Yuan-fang Wang)....Pages 357-368 The Dirdif Program System — Practical Session and Exercises (Paul T. Beurskens, Gezina Beurskens, W. P. Bosman, S. García-Granda, R. O. Gould, J. M. M. Smits et al.)....Pages 369-378 The Use of Karle-Hauptman Matrices in Structure Determination (Rudolf A. G. de Graaff)....Pages 379-384 Maximum Determinant Revisited (G. Tsoucaris)....Pages 385-392 Exact Conditional Probability Density Function of Three-Phase Invariant in P1: Some Theoretical and Practical Considerations (Uri Shmueli, George H. Weiss)....Pages 393-398 Some Considerations Concerning the Physical Interpretation of Sayre’s Equation and Phase Triplets in Direct Methods (A. F. Mishnev)....Pages 399-400 Distribution Fitting Methods (Jindrich Hašek, Henk Schenk)....Pages 401-402 The Minimal Principle Solves Some Crystal Structures (Herbert Hauptman, D. Velmurugan, Han Fusen)....Pages 403-406 Estimation of Structure Seminvariants (Davide Viterbo)....Pages 407-414 Figures of Merit in the Sir Program (Davide Viterbo)....Pages 415-419 Squash: A Procedure for Phase Refinement and Extension of Protein Structures (Kevin Cowtan)....Pages 421-424 Saytan: The Sayre-Equation Tangent Formula (Cecil Tate)....Pages 425-428 Tritan — Or, Recycled Failure (Laila Refaat)....Pages 429-434 The Design of a Knowledge-Based System for Crystal Structure Determination (Suzanne Fortier, Janice Glasgow, Frank H. Allen)....Pages 435-440 Back Matter ....Pages 441-445

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