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Home > Implications of Molecular and Materials Structure for New Technologies > Developing Methods of Crystal Structure and Polymorph Prediction
Implications of Molecular and Materials Structure for New Technologies |
Judith A K Howard; Frank H. Allen; Gregory P. Shields
Springer Netherlands
Implications of Molecular and Materials Structure for New Technologies
Developing Methods of Crystal Structure and Polymorph Prediction
Authors

S. L. Price

ARI Id

1664746204044_3044583

Access

Not Available Free

Pages

315-320

DOI

10.1007/978-94-011-4653-1_23

Chapter URL

https://rd.springer.com/chapter/10.1007/978-94-011-4653-1_23

Table of Contents of Book
Showing 1 to 20 of 26 entries
Chapters/HeadingsAuthor(s)PagesInfo
Front Matter
i-xii
Into the New Millennium: The Present and Future of Crystal Structure Analysis
Jack D. Dunitz
1-9
Modern Neutron Diffraction Methods
C. C. Wilson
11-22
Electron Densities and Electrostatic Properties of Materials from High Resolution X-Ray Diffraction
C. Lecomte
23-44
Dynamic Processes and Disorder in Materials as seen by Temperature-Dependent Diffraction Experiments
H. B. Buergi; S. C. Capelli
45-58
Atomic Displacement Parameters, Vibrational Spectra and Thermodynamic Functions for Crystals: A Strong Connection
C. M. Gramaccioli
59-70
Molecular Mechanics Modeling of Transition Metal Compounds
Peter Comba
71-86
Modeling Structural, Spectroscopic and Redox Properties of Transition Metal Compounds
Peter Comba
87-100
Molecules in Crystals — What Makes Them Different?
Kersti Hermansson
101-117
A New ab initio Powder Method and Profile Refinement in Materials Design: Application to Polymer Electrolytes
Peter G. Bruce; Graham MacGlashan; Yuri G. Andreev
119-133
Quantum Mechanical Modeling of Structure Evolution of Transition Metal Clusters and Metallocarbohedrenes
Hansong Cheng; Lai-Sheng Wang
135-150
Solid-State Reactivity and Implications for Catalytic Processes
Elena V. Boldyreva
151-174
Weak Interactions in Molecular Crystals
Jack D. Dunitz
175-184
Weak Hydrogen Bonds
Thomas Steiner
185-196
Direct and Indirect Roles of Metal Centres in Hydrogen Bonding
L. Brammer
197-210
Supramolecular Organization in Organometallic Crystals
Fabrizia Grepioni; Dario Braga
211-222
Theoretical Approaches to the Study of Non-Bonded Interactions
S. L. Price
223-234
Intermolecular Interactions in Molecular Crystals Studied by ab initio Methods
J. J. Novoa
235-250
Systematic Study of Crystal Packing
Carolyn Pratt Brock
251-262
Molecular Shape as a Design Criterion
Raymond E. Davis; James K. Whitesell; Kraig A. Wheeler
263-274
Chapters/HeadingsAuthor(s)PagesInfo
Showing 1 to 20 of 26 entries
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