轻而薄
发表于 2025-3-26 22:40:56
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
发表于 2025-3-27 04:54:00
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.
异端邪说下
发表于 2025-3-27 08:21:50
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 Mössbauer spectra of austenite Fe-N.
Root494
发表于 2025-3-27 13:03:13
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PALL
发表于 2025-3-27 16:10:04
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.
关节炎
发表于 2025-3-27 20:13:39
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.
有机体
发表于 2025-3-28 01:45:25
https://doi.org/10.1007/3-540-30924-1Hyperfine interaction; Magnetic Resonance; Materials science; Mössbauer effect; Mössbauer spectroscopy; N
Institution
发表于 2025-3-28 04:40:50
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Devastate
发表于 2025-3-28 07:05:53
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枯燥
发表于 2025-3-28 13:45:42
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.