Quantum Chemistry and Nuclear Resonance Spectroscopy Data of Natural and Synthetic Nanotechnological Materials with Nd-Metal Atoms Participations
Autor Elmira I. Yuryeva, Svyatoslav Gabuda, Rafael N. Pletneven Limba Engleză Hardback – 31 mai 2007
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Specificații
ISBN-13: 9781600217487
ISBN-10: 1600217486
Pagini: 91
Ilustrații: tables & charts
Dimensiuni: 182 x 265 x 12 mm
Greutate: 0.39 kg
Editura: Nova Science Publishers Inc
ISBN-10: 1600217486
Pagini: 91
Ilustrații: tables & charts
Dimensiuni: 182 x 265 x 12 mm
Greutate: 0.39 kg
Editura: Nova Science Publishers Inc
Cuprins
Introduction; Methods of Calculations; Main Approximations; Features of Xa- Discrete Variation Method; Chemical Bond Parameters; Hyperfine Electronic-Nuclear Interaction Parameters; Test Calculation Results; Oxygen Systems; Isovalence Substitution; 63Cu, 139 La NMR and Chemical Bonds in Anion Deficite Perovskite LaCu0.81Ni0.19O2.5+d; 57Fe Mössbauer Parameters of Fe3+ ions in Variable Composition Chromospinelides; Mobility of Crystal Lattice Atoms; Spin-Pierles Transition in CuGeO3: Calculations of 63Cu NQR Frequencies; Oxygen Transport in YBa2Cu3O7-d and SrFeO3; Electron Correlations and Dynamics of Hydrogen Atoms in Crystalline Hydrates of ns-Element Vanadates; Non-oxygen Systems; The Stability of Pairwise Defects in 3C-SiC; Temperature Stability of Hemoglobin Active Sites; 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.