Table of contents for Quantum chemistry and nuclear resonance spectroscopy data of natural and synthetic nanotechnological materials with ND-metal atoms participations / Elmira I. Yuryea, Svyatoslav Gabuda, and Rafael N. Pletnev.

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Note: Contents data are machine generated based on pre-publication provided by the publisher. Contents may have variations from the printed book or be incomplete or contain other coding.

Table of Contents:
1. Introduction
2. Methods of Calculations
2.1. Main Approximations
2.2. Features of X±- Discrete Variation Method
2.3. Chemical Bond Parameters
2.4. Hyperfine Electronic-Nuclear Interaction Parameters
2.5. Test Calculation Results
3. Oxygen Systems
3.1.Isovalence Substitution
3.1.1. 63Cu, 139 La NMR and Chemical Bonds in Anion Deficite Perovskite LaCu0.81Ni0.19O2.5+´
3.1.2. 57Fe M÷ssbauer Parameters of Fe3+ ions in Variable Composition Chromospinelides
3.2. Mobility of Crystal Lattice Atoms
3.2.1. Spin-Pierles Transition in CuGeO3: Calculations of 63Cu NQR Frequencies
3.2.2. Oxygen Transport in YBa2Cu3O7-´ and SrFeO3
3.2.3. Electron Correlations and Dynamics of Hydrogen Atoms in Crystalline Hydrates of ns-Element Vanadates
4. Non-oxygen Systems
4.1. The Stability of Pairwise Defects in 3C-SiC
4.2. Temperature Stability of Hemoglobin Active Sites
4.3. Van der Waals Dispersion Interactions and Orientation Diffusion of Octahedral Molecules 
MX6 (M=Mo, W, U, S, Te; X=F, OH) in Crystals
Conclusion
Index

Library of Congress Subject Headings for this publication:

Nanotechnology -- Materials.