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Fundamentals of crystallography /
~
Giacovazzo, Carmelo.
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Fundamentals of crystallography /
Record Type:
Language materials, printed : Monograph/item
Title/Author:
Fundamentals of crystallography // G. Giacovazzo ... [et al.]
other author:
Giacovazzo, Carmelo.
Published:
Oxford ;Oxford University Press, : 2011.,
Description:
xxi, 842 p. :ill. ;26 cm.
[NT 15003449]:
Note continued:
Subject:
Crystallography. -
ISBN:
9780199573660 (pbk.) :
Fundamentals of crystallography /
Fundamentals of crystallography /
G. Giacovazzo ... [et al.] - 3rd ed. - Oxford ;Oxford University Press,2011. - xxi, 842 p. :ill. ;26 cm. - IUCr texts on crystallography ;15. - International Union of Crystallography texts on crystallography ;15..
Includes bibliographical references and index.
Symmetry in crystals /Carmelo Giacovazzo --Machine generated contents note:
ISBN: 9780199573660 (pbk.) :GBP45.00
LCCN: 2010043821Subjects--Topical Terms:
518393
Crystallography.
LC Class. No.: QD905.2 / .F86 2011
Dewey Class. No.: 548
Fundamentals of crystallography /
LDR
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9780199573653 (hbk.)
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HEBIS
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DLC
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DLC
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YDX
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YDXCP
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IG#
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CDX
$d
INU
$d
UKMGB
$d
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FISA
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QD905.2
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.F86 2011
082
0 0
$a
548
$2
22
245
0 0
$a
Fundamentals of crystallography /
$c
G. Giacovazzo ... [et al.]
250
$a
3rd ed.
260
#
$a
Oxford ;
$a
New York :
$b
Oxford University Press,
$c
2011.
300
$a
xxi, 842 p. :
$b
ill. ;
$c
26 cm.
490
1
$a
IUCr texts on crystallography ;
$v
15
504
$a
Includes bibliographical references and index.
505
0 0
$g
Machine generated contents note:
$g
1.
$t
Symmetry in crystals /
$r
Carmelo Giacovazzo --
$g
1.1.
$t
The crystalline state and isometric operations --
$g
1.2.
$t
Symmetry elements --
$g
1.2.1.
$t
Axes of rotational symmetry --
$g
1.2.2.
$t
Axes of rototranslation or screw axes --
$g
1.2.3.
$t
Axes of inversion --
$g
1.2.4.
$t
Axes of rotoreflection --
$g
1.2.5.
$t
Reflection planes with translational component (glide planes) --
$g
1.3.
$t
Lattices --
$g
1.4.
$t
The rational properties of lattices --
$g
1.4.1.
$t
Crystallographic directions --
$g
1.4.2.
$t
Crystallographic planes --
$g
1.5.
$t
Symmetry restrictions due to the lattice periodicity and vice versa --
$g
1.6.
$t
Point groups and symmetry classes --
$g
1.6.1.
$t
Point groups in one and two dimensions --
$g
1.7.
$t
The Laue classes --
$g
1.8.
$t
The seven crystal systems --
$g
1.9.
$t
The Bravais lattices --
$g
1.9.1.
$t
Plane lattices --
$g
1.9.2.
$t
Space lattices --
$g
1.10.
$t
The space groups --
$g
1.11.
$t
The plane and line groups --
$g
1.12.
$t
On the matrix representation of symmetry operators --
$t
Appendices --
$g
1.A.
$t
The isometric transformations
505
0 0
$g
1.A.1.
$t
Direct movements --
$g
1.A.2.
$t
Opposite movements --
$g
1.B.
$t
Some combinations of movements --
$g
1.C.
$t
Wigner-Seitz cells --
$g
1.D.
$t
The space-group matrices --
$g
1.E.
$t
Symmetry groups --
$g
1.E.1.
$t
Subgroups --
$g
1.E.2.
$t
Cosets --
$g
1.E.3.
$t
Conjugate classes --
$g
1.E.4.
$t
Conjugate subgroups --
$g
1.E.5.
$t
Normal subgroups and factor groups --
$g
1.E.6.
$t
Maximal subgroups and minimal supergroups --
$g
1.E.7.
$t
Maximal subgroups and minimal supergroups for three-dimensional crystallographic point groups --
$g
1.E.8.
$t
Limiting groups in two and three dimensions --
$g
1.E.9.
$t
Representation of a group --
$g
1.E.10.
$t
Character tables --
$g
1.F.
$t
Symmetry generalization --
$g
1.F.1.
$t
The symmetry groups Gnm --
$g
1.F.2.
$t
The G1 groups --
$g
1.F.3.
$t
The G2 groups --
$g
1.F.4.
$t
The G3 groups --
$g
1.F.5.
$t
The Gn4 groups --
$g
1.F.6.
$t
The groups of colour symmetry --
$t
References --
$g
2.
$t
Crystallographic computing /
$r
Carmelo Giacovazzo --
$g
2.1.
$t
Introduction --
$g
2.2.
$t
The metric matrix --
$g
2.3.
$t
The reciprocal lattice --
$g
2.4.
$t
Basis transformations --
$g
2.5.
$t
Transformation from triclinic to orthonormal axes --
$g
2.6.
$t
Rotations in Cartesian systems
505
0 0
$g
2.7.
$t
Some simple crystallographic calculations --
$g
2.7.1.
$t
Torsion angles --
$g
2.7.2.
$t
Best plane through a set of points --
$g
2.7.3.
$t
Best line through a set of points --
$g
2.7.4.
$t
Principal axes of a quadratic form --
$g
2.8.
$t
Metric considerations on the lattices --
$g
2.8.1.
$t
Niggli reduced cell --
$g
2.8.2.
$t
Sublattices and superlattices --
$g
2.8.3.
$t
Coincidence-site lattices --
$g
2.9.
$t
Calculation of the electron density function --
$g
2.10.
$t
Calculation of the structure factor --
$g
2.11.
$t
The method of least squares --
$g
2.11.1.
$t
Linear least squares --
$g
2.11.2.
$t
Linear least squares with constraints --
$g
2.11.3.
$t
Non-linear (unconstrained) least squares --
$g
2.11.4.
$t
Least-squares refinement of crystal structures --
$g
2.11.5.
$t
Practical considerations on crystallographic least squares --
$g
2.11.6.
$t
Constraints and restraints in crystallographic least squares --
$g
2.12.
$t
Alternatives to the method of least squares --
$g
2.12.1.
$t
Maximum likelihood refinement --
$g
2.12.2.
$t
Gradient methods --
$g
2.13.
$t
Powder crystallography: techniques for structural analysis --
$g
2.13.1.
$t
Phasing via powder diffraction --
$g
2.13.2.
$t
The basis of the Rietveld refinement
505
0 0
$g
2.13.3.
$t
Some practical aspects of Rietveld refinement --
$g
2.14.
$t
Analysis of thermal motion --
$g
2.15.
$t
The effect of thermal motion on bond lengths and angles --
$g
2.16.
$t
About the accuracy of the calculated parameters --
$t
Appendices --
$g
2.A.
$t
Some metric relations between direct and reciprocal lattices --
$g
2.B.
$t
Some geometrical calculations concerning directions and planes --
$g
2.C.
$t
Some transformation matrices --
$g
2.D.
$t
Reciprocity of F and I lattices --
$g
2.E.
$t
Transformations of crystallographic quantities in rectilinear spaces --
$g
2.F.
$t
Derivation of the normal equations --
$g
2.G.
$t
Derivation of the variance-covariance matrix Mx --
$g
2.H.
$t
Derivation of the unbiased estimate of Mx --
$g
2.I.
$t
The FFT algorithm and its crystallographic applications --
$t
References --
$g
3.
$t
The diffraction of X-rays by crystals /
$r
Carmelo Giacovazzo --
$g
3.1.
$t
Introduction --
$g
3.2.
$t
Basic properties of X-rays --
$g
3.3.
$t
Thomson scattering --
$g
3.4.
$t
Compton scattering --
$g
3.5.
$t
Interference of scattered waves --
$g
3.6.
$t
Scattering by atomic electrons --
$g
3.7.
$t
Scattering by atoms --
$g
3.8.
$t
The temperature factor --
$g
3.9.
$t
Scattering by a molecule or by a unit cell
505
0 0
$g
3.10.
$t
Diffraction by a crystal --
$g
3.11.
$t
Bragg's law --
$g
3.12.
$t
The reflection and the limiting spheres --
$g
3.13.
$t
Symmetry in reciprocal space --
$g
3.13.1.
$t
Friedel law --
$g
3.13.2.
$t
Effects of symmetry operators in the reciprocal space --
$g
3.13.3.
$t
Determination of the Laue class --
$g
3.13.4.
$t
Determination of reflections with restricted phase values --
$g
3.13.5.
$t
Systematic absences --
$g
3.13.6.
$t
Unequivocal determination of the space group --
$g
3.14.
$t
Diffraction intensities --
$g
3.15.
$t
Anomalous dispersion --
$g
3.16.
$t
The Fourier synthesis and the phase problem --
$t
Appendices --
$g
3.A.
$t
Mathematical background --
$g
3.A.1.
$t
Dirac delta function --
$g
3.A.2.
$t
A mathematical model for the lattice --
$g
3.A.3.
$t
Convolutions: the mathematical model of a crystal --
$g
3.A.4.
$t
Some properties of convolutions --
$g
3.A.5.
$t
The Fourier transform --
$g
3.A.6.
$t
Some examples of Fourier transform --
$g
3.A.7.
$t
Fourier transform of spherically symmetric functions --
$g
3.A.8.
$t
Deconvolution of spectra --
$g
3.B.
$t
Scattering and related topics --
$g
3.B.1.
$t
Compton scattering --
$g
3.B.2.
$t
The anisotropic temperature factor --
$g
3.B.3.
$t
Symmetry restrictions on the anisotropic temperature factors
505
0 0
$g
3.B.4.
$t
The Renninger effect and experimental phase determination by means of multiple diffraction experiments --
$g
3.B.5.
$t
Electron diffraction --
$g
3.B.6.
$t
Neutron scattering --
$g
3.B.7.
$t
Electron, neutron and X-ray diffraction: comparison and perspectives --
$g
3.C.
$t
About electron density mapping --
$t
References --
$g
4.
$t
Beyond ideal crystals /
$r
Carmelo Giacovazzo --
$g
4.1.
$t
Introduction --
$g
4.2.
$t
Ordering types --
$g
4.3.
$t
Crystal twins --
$g
4.4.
$t
Diffuse scattering --
$g
4.4.1.
$t
Thermal diffuse scattering --
$g
4.4.2.
$t
Disorder diffuse scattering --
$g
4.5.
$t
Modulated crystal structures --
$g
4.6.
$t
Quasi-crystals --
$g
4.6.1.
$t
Introductory remarks --
$g
4.6.2.
$t
A mathematical basis --
$g
4.6.3.
$t
Aperiodic tiling and quasi-crystals --
$g
4.6.4.
$t
Embedding quasi-crystals in higher-dimensional space --
$g
4.7.
$t
Liquid crystals (or mesomorphic phases) --
$g
4.8.
$t
The paracrystal --
$g
4.9.
$t
Amorphous and liquid states --
$g
4.9.1.
$t
Diffraction from a finite statistically homogeneous object --
$g
4.9.2.
$t
Diffraction from a finite statistically homogeneous object with equal atoms --
$g
4.9.3.
$t
Diffraction from an isotropic statistically homogeneous object
505
0 0
$g
4.9.4.
$t
The Debye formula --
$g
4.10.
$t
Diffraction by gases --
$g
4.11.
$t
Diffraction by liquids and amorphous bodies --
$g
4.12.
$t
Small-angle scattering --
$t
Appendices --
$g
4.A.
$t
Examples of twin laws --
$g
4.A.1.
$t
Cubic system --
$g
4.A.2.
$t
Tetragonal system --
$g
4.A.3.
$t
Hexagonal and trigonal systems --
$g
4.A.4.
$t
Orthorhombic system --
$g
4.A.5.
$t
Monoclinic system --
$g
4.A.6.
$t
Triclinic system --
$g
4.B.
$t
How to recognize and treat twins --
$g
4.C.
$t
Embedding of modulated structures in higher-dimensional space --
$g
4.D.
$t
About Fibonacci numbers and sequences --
$t
References --
$g
5.
$t
Experimental methods in X-ray and neutron crystallography /
$r
Gilberto Artioli --
$g
5.1.
$t
Introduction --
$g
5.2.
$t
X-ray sources --
$g
5.2.1.
$t
Conventional generators --
$g
5.2.2.
$t
Synchrotron radiation --
$g
5.2.3.
$t
X-ray optics: monochromatization, collimation, and focusing of X-rays --
$g
5.3.
$t
Neutron sources --
$g
5.3.1.
$t
Nuclear reactors --
$g
5.3.2.
$t
Pulsed neutron sources --
$g
5.3.3.
$t
Neutron optics --
$g
5.4.
$t
X-ray and neutron detectors --
$g
5.4.1.
$t
X-ray detectors --
$g
5.4.2.
$t
Neutron detectors --
$g
5.5.
$t
Data-collection techniques for single crystals
505
0 0
$g
5.5.1.
$t
The Laue method --
$g
5.5.2.
$t
The single-crystal cameras --
$g
5.5.3.
$t
The single-crystal diffractometer --
$g
5.6.
$t
Data-collection techniques for polycrystalline materials --
$g
5.6.1.
$t
Diffraction of polycrystalline materials --
$g
5.6.2.
$t
Cameras used for polycrystalline materials --
$g
5.6.3.
$t
Diffractometers used for polycrystalline materials --
$g
5.6.4.
$t
Applications of powder diffraction --
$g
5.7.
$t
In situ measurements at non-ambient conditions --
$g
5.7.1.
$t
High-temperature polycrystalline diffraction --
$g
5.7.2.
$t
Low-temperature single-crystal diffractometry --
$g
5.7.3.
$t
Humidity control of macromolecular crystals --
$g
5.7.4.
$t
High-pressure experiments --
$g
5.8.
$t
Data reduction --
$g
5.8.1.
$t
Lorentz correction --
$g
5.8.2.
$t
Polarization correction --
$g
5.8.3.
$t
Absorption correction --
$g
5.8.4.
$t
Radiation-damage correction --
$g
5.8.5.
$t
Relative scaling --
$t
Appendices --
$g
5.A.
$t
Determination of the number of molecules or formula units in the unit cell of a crystal --
$g
5.B.
$t
The cylindrical-film camera geometry --
$g
5.C.
$t
The precession camera geometry --
$g
5.D.
$t
The rotation method geometry --
$t
References --
$g
6.
$t
Solution and refinement of crystal structures /
$r
Davide Viterbo
505
0 0
$g
6.1.
$t
Introduction --
$g
6.2.
$t
Statistical analysis of structure factor amplitudes --
$g
6.3.
$t
Direct space methods --
$g
6.3.1.
$t
The Patterson function and its use --
$g
6.3.2.
$t
Electron density modification methods --
$g
6.4.
$t
Reciprocal space methods (direct methods) --
$g
6.4.1.
$t
Introduction --
$g
6.4.2.
$t
Structure invariants --
$g
6.4.3.
$t
Probability methods --
$g
6.4.4.
$t
Direct methods procedures --
$g
6.5.
$t
Using the dual space procedures --
$g
6.6.
$t
Completing and refining the structure --
$g
6.6.1.
$t
Difference Fourier method --
$g
6.6.2.
$t
Least-squares method --
$g
6.6.3.
$t
Absolute structure and resonant scattering --
$t
Appendices
505
0 0
$a
Note continued:
$g
6.A.
$t
Structure factor probability distributions --
$g
6.B.
$t
Patterson vector methods --
$g
6.C.
$t
Difference electron density modification (DEDM) --
$g
6.D.
$t
Phase-retrieval methods in optics and their use in crystallography --
$g
6.E.
$t
Effects of phase errors on electron density maps --
$g
6.F.
$t
Probability formulae for triplet invariants --
$g
6.G.
$t
Early direct method procedures --
$g
6.G.1.
$t
Fixing the origin and the enantiomorph --
$g
6.G.2.
$t
Phase-determination procedures --
$g
6.H.
$t
Pseudotranslational symmetry --
$g
6.1.
$t
Procedures for completing a partial model --
$g
6.1.1.
$t
Weights for Fourier syntheses --
$g
6.1.2.
$t
Syntheses for completing a partial model --
$t
References --
$g
7.
$t
Inorganic and mineral crystals /
$r
Giovanni Ferraris --
$g
7.1.
$t
Introduction --
$g
7.2.
$t
Bonding aspects --
$g
7.2.1.
$t
Chemical bond and solid-state properties --
$g
7.2.2.
$t
Melting --
$g
7.2.3.
$t
Cleavage --
$g
7.2.4.
$t
Structure and morphology --
$g
7.2.5.
$t
Morphology and optical properties
505
0 0
$g
7.2.6.
$t
Representing crystal structures --
$g
7.2.7.
$t
The ionic radii --
$g
7.2.8.
$t
Packing of spheres --
$g
7.2.9.
$t
Coordination polyhedra --
$g
7.2.10.
$t
Interstitial sites in hcp and ccp --
$g
7.2.11.
$t
Ionic radii and coordination polyhedra --
$g
7.2.12.
$t
Electrostatic bond strength and Pauling's rules --
$g
7.2.13.
$t
Bond strength vs. bond length --
$g
7.2.14.
$t
The charge distribution (CD) method --
$g
7.2.15.
$t
Applications of CD and ECoN --
$g
7.2.16.
$t
Bond valence and hydrogen bond --
$g
7.2.17.
$t
Bond valence and hydrates --
$g
7.2.18.
$t
Bond strength of the O...O hydrogen bond --
$g
7.2.19.
$t
Polymorphism --
$g
7.2.20.
$t
Solid solutions --
$g
7.2.21.
$t
Solid solutions, order/disorder and crystal-chemical formula --
$g
7.3.
$t
Structure types --
$g
7.3.1.
$t
Closest- and close-packing structure types --
$g
7.3.2.
$t
Packing spheres only --
$g
7.3.3.
$t
Filling tetrahedral sites --
$g
7.3.4.
$t
Filling octahedral sites --
$g
7.3.5.
$t
Filling octahedral and tetrahedral sites --
$g
7.3.6.
$t
More cp structures --
$g
7.4.
$t
Structures with complex anions --
$g
7.4.1.
$t
Orthosilicates
505
0 0
$g
7.4.2.
$t
Disilicates and ring silicates --
$g
7.4.3.
$t
Chain silicates (inosilicates) --
$g
7.4.4.
$t
Layered silicates (phyllosilicates) --
$g
7.4.5.
$t
Tectosilicates --
$g
7.4.6.
$t
More structures of technological interest --
$g
7.5.
$t
Modular structures --
$g
7.5.1.
$t
Polytypism --
$g
7.5.2.
$t
Modelling the structure of OD polytypes --
$g
7.5.3.
$t
Identification of long-period polytypes --
$g
7.5.4.
$t
Polysomatic series --
$g
7.5.5.
$t
Modelling structures of polysomes --
$g
7.5.6.
$t
Modulated structures --
$g
7.6.
$t
Real structures --
$g
7.6.1.
$t
Symmetry domains --
$g
7.6.2.
$t
Unmixing phenomena --
$t
References --
$g
8.
$t
Molecules and molecular crystals /
$r
Paola Gilli --
$g
8.1.
$t
Chemistry and X-ray crystallography --
$g
8.1.1.
$t
Crystal and molecular structure --
$g
8.1.2.
$t
The growth of structural information --
$g
8.2.
$t
The nature of molecular crystals --
$g
8.2.1.
$t
Intermolecular forces --
$g
8.2.2.
$t
Thermodynamics of molecular crystals --
$g
8.2.3.
$t
Free and lattice energy of a crystal from atom-atom potentials --
$g
8.2.4.
$t
Polymorphism --
$g
8.2.5.
$t
The prediction of crystal structures
505
0 0
$g
8.3.
$t
Elements of classical stereochemistry --
$g
8.3.1.
$t
Structure: constitution, configuration, and conformation --
$g
8.3.2.
$t
Isomerism --
$g
8.3.3.
$t
Ring conformations --
$g
8.4.
$t
Molecular structure and chemical bond --
$g
8.4.1.
$t
Introduction --
$g
8.4.2.
$t
Quantum-mechanical methods --
$g
8.4.3.
$t
Qualitative bonding theories --
$g
8.4.4.
$t
The VSEPR theory --
$g
8.4.5.
$t
The VB theory --
$g
8.4.6.
$t
Molecular mechanics (MM) --
$g
8.4.7.
$t
Molecular mechanics, force fields, and molecular simulation (MS) --
$g
8.5.
$t
Molecular hermeneutics: the interpretation of molecular structures --
$g
8.5.1.
$t
Correlation methods in structural analysis --
$g
8.5.2.
$t
Some three-centre -- four-electron linear systems --
$g
8.5.3.
$t
Nucleophilic addition to organometallic compounds --
$g
8.5.4.
$t
Nucleophilic addition to the carbonyl group --
$g
8.5.5.
$t
Conformational rearrangements by structure-correlation methods --
$g
8.5.6.
$t
Evidence for resonance-assisted H-bond (RAHB) by structure-correlation methods --
$t
References --
$g
9.
$t
Protein crystallography /
$r
Giuseppe Zanotti --
$g
9.1.
$t
Introduction
505
0 0
$g
9.2.
$t
Biological macromolecules --
$g
9.2.1.
$t
Globular proteins --
$g
9.2.2.
$t
Protein folding: general rules --
$g
9.2.3.
$t
Levels of organization of proteins: secondary structure --
$g
9.2.4.
$t
Representation of the polypeptide chain conformation --
$g
9.2.5.
$t
Higher levels of organization: tertiary and quaternary structure, domains and subunits --
$g
9.2.6.
$t
The influence of the medium --
$g
9.2.7.
$t
Groups other than amino acids --
$g
9.2.8.
$t
Protein classification --
$g
9.2.9.
$t
Nucleic acids --
$g
9.3.
$t
Protein crystals --
$g
9.3.1.
$t
Principles of protein crystallization --
$g
9.3.2.
$t
Crystallization methods --
$g
9.3.3.
$t
Testing the conditions: factorial approaches --
$g
9.3.4.
$t
Membrane proteins --
$g
9.3.5.
$t
The solvent content of protein crystals --
$g
9.3.6.
$t
Cryotechniques --
$g
9.3.7.
$t
Preparation of isomorphous heavy-atom derivatives --
$g
9.3.8.
$t
How isomorphous are isomorphous derivatives? --
$g
9.4.
$t
The solution of the phase problem --
$g
9.4.1.
$t
The isomorphous replacement method --
$g
9.4.2.
$t
The determination of heavy-atom positions --
$g
9.4.3.
$t
The single isomorphous replacement (SIR) method
505
0 0
$g
9.4.4.
$t
The classical solution of the problem of phase ambiguity: the MIR technique --
$g
9.4.5.
$t
Anomalous scattering: a complementary (or alternative) approach to the solution of the phase problem --
$g
9.4.6.
$t
The optimal choice of wavelength and the multiple anomalous dispersion (MAD) technique --
$g
9.4.7.
$t
The use of anomalous scattering in the identification of ionic species bound to a protein --
$g
9.4.8.
$t
The use of anomalous scattering in the determination of the absolute configuration of the macromolecule --
$g
9.4.9.
$t
The treatment of errors --
$g
9.4.10.
$t
The refinement of heavy-atom parameters --
$g
9.4.11.
$t
Maximum-likelihood and Bayesian estimates: an alternative approach in phase refinement --
$g
9.4.12.
$t
Picking up minor heavy-atom sites: the difference-Fourier synthesis --
$g
9.4.13.
$t
Density modification: how to solve the phase ambiguity and improve the electron-density map --
$g
9.4.14.
$t
Rotation and translation functions and the molecular replacement method --
$g
9.4.15.
$t
The first step in molecular replacement: the rotation function --
$g
9.4.16.
$t
The rotation matrix C and the choice of variables
505
0 0
$g
9.4.17.
$t
Translation functions --
$g
9.4.18.
$t
Self-rotation and self-translation functions: improving the electron-density maps --
$g
9.4.19.
$t
Practical hints in molecular replacement --
$g
9.4.20.
$t
Ab initio methods in macromolecular crystallography --
$g
9.5.
$t
The interpretation of the electron-density maps and the refinement of the model --
$g
9.5.1.
$t
The interpretation of the electron-density maps --
$g
9.5.2.
$t
Interactive computer graphics and model building --
$g
9.5.3.
$t
The refinement of the structure --
$g
9.5.4.
$t
Constrained versus restrained least squares --
$g
9.5.5.
$t
Restrained and constrained least squares --
$g
9.5.6.
$t
Crystallographic refinement by molecular dynamics --
$g
9.5.7.
$t
The strategy of the refinement of protein structures --
$g
9.5.8.
$t
R factor and Rfree: structure validation --
$g
9.5.9.
$t
Thermal parameters, disorder and TLS refinement --
$g
9.5.10.
$t
The organization of solvent --
$g
9.5.11.
$t
The influence of crystal packing --
$g
9.5.12.
$t
Dynamical studies: time-resolved crystallography --
$t
Appendices --
$g
9.A.
$t
Some formulae for isomorphous replacement and anomalous dispersion
505
0 0
$g
9.B.
$t
Translation functions --
$g
9.C.
$t
Conventions and symbols for amino acids and peptides --
$g
9.D.
$t
Software programs available for macromolecular crystallography calculations --
$t
References --
$g
10.
$t
Physical properties of crystals: phenomenology and modelling /
$r
Michele Catti --
$g
10.1.
$t
Introduction --
$g
10.2.
$t
Crystal anisotropy and tensors --
$g
10.2.1.
$t
Tensorial quantities --
$g
10.2.2.
$t
Symmetry of tensorial properties --
$g
10.3.
$t
Overview of physical properties --
$g
10.4.
$t
Electrical properties of crystals --
$g
10.4.1.
$t
Pyroelectricity and ferroelectricity --
$g
10.4.2.
$t
Dielectric impermeability and optical properties --
$g
10.5.
$t
Elastic properties of crystals --
$g
10.5.1.
$t
Crystal strain --
$g
10.5.2.
$t
Inner deformation --
$g
10.5.3.
$t
Stress tensor --
$g
10.5.4.
$t
Elasticity tensor --
$g
10.5.5.
$t
Examples and applications --
$g
10.6.
$t
Piezoelectricity --
$g
10.6.1.
$t
Symmetry properties of the piezoelectric tensor --
$g
10.7.
$t
Modelling of structural and elastic behaviour --
$g
10.7.1.
$t
Atomistic potential functions --
$g
10.7.2.
$t
Athermal equation of state
505
0 0
$g
10.7.3.
$t
Elastic constants --
$g
10.8.
$t
Crystal defects --
$g
10.9.
$t
Experimental methods --
$g
10.10.
$t
Planar defects --
$g
10.11.
$t
Line defects: dislocations --
$g
10.11.1.
$t
The Burgers circuit --
$g
10.11.2.
$t
X-ray topography of dislocations --
$g
10.11.3.
$t
Energy of a dislocation --
$g
10.11.4.
$t
Motion and interaction of dislocations --
$g
10.11.5.
$t
Partial dislocations --
$g
10.11.6.
$t
Small-angle grain boundaries --
$g
10.12.
$t
Point defects --
$g
10.13.
$t
Thermal distribution of defects --
$g
10.14.
$t
Diffusion --
$g
10.15.
$t
Ionic conductivity --
$t
Appendices --
$g
10.A.1.
$t
Properties of second-rank tensors --
$g
10.A.2.
$t
Eigenvalues and eigenvectors --
$g
10.A.3.
$t
Representation surfaces and their properties --
$t
References.
650
# 0
$a
Crystallography.
$3
518393
700
1 #
$a
Giacovazzo, Carmelo.
$3
580720
830
0
$a
International Union of Crystallography texts on crystallography ;
$v
15.
$3
1305874
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