Implications of molecular and materials structure for new technologies: [proceedings of the NATO Advanced Study Institute on Implications of Molecular and Materials Structure for New Technologies, Erice, Sicily, 28 May - 7 June 1998]
Gespeichert in:
Format: | Tagungsbericht Buch |
---|---|
Sprache: | English |
Veröffentlicht: |
Dordrecht [u.a.]
Kluwer
1999
|
Schriftenreihe: | NATO: [NATO science series / E]
360 |
Schlagworte: | |
Online-Zugang: | Inhaltsverzeichnis |
Beschreibung: | XII, 354 S. graph. Darst. |
ISBN: | 0792358163 0792358171 |
Internformat
MARC
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300 | |a XII, 354 S. |b graph. Darst. | ||
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Datensatz im Suchindex
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adam_text | TABLE
OF
CONTENTS
PREFACE
vii
List of Contributors
ix
Into the New Millennium: the Present and Future of Crystal Structure Analysis
1
J. D. Dunitz
Modern Neutron Diffraction Methods
11
С. С
Wilson
Electron Densities and Electrostatic Properties of Materials
23
from High Resolution X Ray Diffraction
C. Lecomte
Dynamic Processes and Disorder in Materials as seen by
45
Temperature-Dependent Diffraction Experiments
H. B. BuergiandS.
С
Capelli
Atomic Displacement Parameters, Vibrational Spectra and
59
Thermodynamic Functions for Crystals: a Strong Connection
С
M. Gramaccioli
Molecular Mechanics Modeling of Transition Metal Compounds
71
P.
Comba
Modeling Structural,
Spectroscopie
and
Redox
Properties
87
of Transition Metal Compounds
P.
Comba
Molecules in Crystals
-
What Makes them Different?
101
K. Hermansson
A new
ab initio
Powder Method and Profile Refinement in Materials Design:
119
Application to Polymer Electrolytes
P.
G
Bruce, G. MacGlashan and Y. G. Andreev
Quantum Mechanical Modeling of Structure Evolution
135
of Transition Metal Clusters and Metallocarbohedrenes
Hansong Cheng and Lai-Sheng Wang
Solid-State Reactivity and Implications for Catalytic Processes
151
E. Boldyreva
Weak Interactions in Molecular Crystals
175
J. D. Dunitz
VI
Weak Hydrogen Bonds
185
T.
Steiner
Direct and Indirect Roles of Metal Centres in Hydrogen Bonding
197
L. Brammer
Supramolecular Organization in Organometallic Crystals
211
F. Grepioni and D.
Braga
Theoretical Approaches to the Study of Non-Bonded Interactions
223
S. L.
Price
Intermolecular Interactions in Molecular Crystals Studied by
ab initio
Methods
235
From isolated interactions to patterns and crystals
J. J. Novoa
Systematic Study of Crystal Packing
251
С.
P. Brock
Molecular Shape as a Design Criterion
263
R. E. Davis, J. K. Whitesell and K. A. Wheeler
Graph Set Analysis of Hydrogen Bond Motifs
275
J. Bernstein and R. E. Davis
Crystallographic Databases and Knowledge Bases in Materials Design
291
F. H.Allen and G. P. Shields
Computational Approaches to Crystal Structure and Polymorph Prediction
303
F. J. J. Leusen, S. Wilke, P. Verwer and G.
Engel
Developing Methods of Crystal Structure and Polymorph Prediction
315
S. L
Price
Current Challenges in Crystal Engineering
321
G. R. Desiraju
INDEX
341
|
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language | English |
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spelling | Implications of molecular and materials structure for new technologies [proceedings of the NATO Advanced Study Institute on Implications of Molecular and Materials Structure for New Technologies, Erice, Sicily, 28 May - 7 June 1998] ed. by Judith A. K. Howard ... Dordrecht [u.a.] Kluwer 1999 XII, 354 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier NATO: [NATO science series / E] 360 Kristallstruktur (DE-588)4136176-3 gnd rswk-swf (DE-588)1071861417 Konferenzschrift 1998 Erice gnd-content Kristallstruktur (DE-588)4136176-3 s DE-604 Howard, Judith A. K. Sonstige oth Advanced Study Institute on Implications of Molecular and Materials Structure for New Technologies 1998 Erice Sonstige (DE-588)5341481-0 oth E] NATO: [NATO science series 360 (DE-604)BV013034773 360 Digitalisierung TU Muenchen application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=008952848&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
spellingShingle | Implications of molecular and materials structure for new technologies [proceedings of the NATO Advanced Study Institute on Implications of Molecular and Materials Structure for New Technologies, Erice, Sicily, 28 May - 7 June 1998] Kristallstruktur (DE-588)4136176-3 gnd |
subject_GND | (DE-588)4136176-3 (DE-588)1071861417 |
title | Implications of molecular and materials structure for new technologies [proceedings of the NATO Advanced Study Institute on Implications of Molecular and Materials Structure for New Technologies, Erice, Sicily, 28 May - 7 June 1998] |
title_auth | Implications of molecular and materials structure for new technologies [proceedings of the NATO Advanced Study Institute on Implications of Molecular and Materials Structure for New Technologies, Erice, Sicily, 28 May - 7 June 1998] |
title_exact_search | Implications of molecular and materials structure for new technologies [proceedings of the NATO Advanced Study Institute on Implications of Molecular and Materials Structure for New Technologies, Erice, Sicily, 28 May - 7 June 1998] |
title_full | Implications of molecular and materials structure for new technologies [proceedings of the NATO Advanced Study Institute on Implications of Molecular and Materials Structure for New Technologies, Erice, Sicily, 28 May - 7 June 1998] ed. by Judith A. K. Howard ... |
title_fullStr | Implications of molecular and materials structure for new technologies [proceedings of the NATO Advanced Study Institute on Implications of Molecular and Materials Structure for New Technologies, Erice, Sicily, 28 May - 7 June 1998] ed. by Judith A. K. Howard ... |
title_full_unstemmed | Implications of molecular and materials structure for new technologies [proceedings of the NATO Advanced Study Institute on Implications of Molecular and Materials Structure for New Technologies, Erice, Sicily, 28 May - 7 June 1998] ed. by Judith A. K. Howard ... |
title_short | Implications of molecular and materials structure for new technologies |
title_sort | implications of molecular and materials structure for new technologies proceedings of the nato advanced study institute on implications of molecular and materials structure for new technologies erice sicily 28 may 7 june 1998 |
title_sub | [proceedings of the NATO Advanced Study Institute on Implications of Molecular and Materials Structure for New Technologies, Erice, Sicily, 28 May - 7 June 1998] |
topic | Kristallstruktur (DE-588)4136176-3 gnd |
topic_facet | Kristallstruktur Konferenzschrift 1998 Erice |
url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=008952848&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
volume_link | (DE-604)BV013034773 |
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