Implications of Molecular and Materials Structure for New Technologies: NATO Science Series E:, cartea 360
Editat de Judith A K Howard, Frank H. Allen, Gregory P. Shieldsen Limba Engleză Paperback – 31 iul 1999
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Specificații
ISBN-13: 9780792358176
ISBN-10: 0792358171
Pagini: 354
Ilustrații: XII, 354 p. 30 illus., 1 illus. in color.
Dimensiuni: 160 x 240 x 19 mm
Greutate: 0.52 kg
Ediția:Softcover reprint of the original 1st ed. 1999
Editura: SPRINGER NETHERLANDS
Colecția Springer
Seria NATO Science Series E:
Locul publicării:Dordrecht, Netherlands
ISBN-10: 0792358171
Pagini: 354
Ilustrații: XII, 354 p. 30 illus., 1 illus. in color.
Dimensiuni: 160 x 240 x 19 mm
Greutate: 0.52 kg
Ediția:Softcover reprint of the original 1st ed. 1999
Editura: SPRINGER NETHERLANDS
Colecția Springer
Seria NATO Science Series E:
Locul publicării:Dordrecht, Netherlands
Public țintă
ResearchCuprins
Into the New Millennium: the Present and Future of Crystal Structure Analysis.- Modern Neutron Diffraction Methods.- Electron Densities and Electrostatic Properties of Materials from High Resolution X Ray Diffraction.- Dynamic Processes and Disorder in Materials as seen by Temperature-Dependent Diffraction Experiments.- Atomic Displacement Parameters, Vibrational Spectra and Thermodynamic Functions for Crystals: a Strong Connection.- Molecular Mechanics Modeling of Transition Metal Compounds.- Modeling Structural, Spectroscopic and Redox Properties of Transition Metal Compounds.- Molecules in Crystals - What Makes them Different?>.- A newab initio Powder Method and Profile Refinement in Materials Design: Application to Polymer Electrolytes.- Quantum Mechanical Modeling of Structure Evolution of Transition Metal Clusters and Metallocarbohedrenes.- Solid-State Reactivity and Implications for Catalytic Processes.- Weak Interactions in Molecular Crystals.- Weak Hydrogen Bonds.- Direct and Indirect Roles of Metal Centres in Hydrogen Bonding.- Supramolecular Organization in Organometallic Crystals.- Theoretical Approaches to the Study of Non-Bonded Interactions.- Intermolecular Interactions in Molecular Crystals Studied by ab initio Methods From isolated interactions to patterns and crystals.- Systematic Study of Crystal Packing.- Molecular Shape as a Design Criterion.- Graph Set Analysis of Hydrogen Bond Motifs.- Crystallographic Databases and Knowledge Bases in Materials Design.- Computational Approaches to Crystal Structure and Polymorph Prediction.- Developing Methods of Crystal Structure and Polymorph Prediction.- Current Challenges in Crystal Engineering.