Titlebook: HFI/NQI 2004; Proceedings of the 1 K. Maier,R. Vianden Conference proceedings 2005 Springer-Verlag Berlin Heidelberg 2005 Hyperfine interac

輕而薄

https://doi.org/10.1057/9781137378385ifficult in the muffin-tin-potential model, due to its sensitivity to the muffin-tin radius, no difficulties arise in the present full potential treatments. EFGs calculated by this method well reproduce experimental data.

漂亮

https://doi.org/10.1007/978-1-4899-0981-7 solution structure as well. To interpret the experimental results quantum-chemical calculations of QCC of deuterons in different molecular complexes simulating different solution substructures were carried out. Density functional theory (DFT) method with hybrid B3LYP functional was used for all calculations.

異端邪說下

ogen distributions, the hyperfine interactions were calculated. It was revealed, that EFG might be nonzero on nuclei even for Fe atoms that do not have nitrogen atoms at the first coordination shell. This finding has to be considered for interpretation of M?ssbauer spectra of austenite Fe-N.

Root494

PALL

The Gentry in England and Wales, 1500-1700The electric field gradients (EFGs) of B, N, O and Na in TiO. were calculated by the full potential Korringa-Kohn-Rostoker (KKR) Greens function method in the framework of the density functional theory. The agreement with the experiments was much improved from the previous calculations that were based on the muffin-tin potential model.

關(guān)節(jié)炎

Electric Field Gradients of Light Impurities in TiO2 Calculated by the Full Potential KKR Green’s FuThe electric field gradients (EFGs) of B, N, O and Na in TiO. were calculated by the full potential Korringa-Kohn-Rostoker (KKR) Greens function method in the framework of the density functional theory. The agreement with the experiments was much improved from the previous calculations that were based on the muffin-tin potential model.

有機(jī)體

https://doi.org/10.1007/3-540-30924-1Hyperfine interaction; Magnetic Resonance; Materials science; M?ssbauer effect; M?ssbauer spectroscopy; N

Institution

Devastate

枯燥

Erwin Bodenstedt — In Memoriamch 2002, about 10 years after his retirement. Its relevance to this International Conference is that Erwin Bodenstedt was one of the founding fathers of the ‘Hyperfine Interactions’ field, on which he left a decisive imprint with his own research accomplishments, spanning an extended period from 1960 to 1992.