sed-rate
发表于 2025-3-25 06:54:16
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cylinder
发表于 2025-3-25 10:46:03
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希望
发表于 2025-3-25 14:18:58
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讨厌
发表于 2025-3-25 17:47:19
https://doi.org/10.1007/978-94-011-9487-7simally thin slabs as a function of distance from the origin. This analytical formula allows for a fast computation of electric field gradients from a given charge density distribution for Gaussian expansions of Slater-type orbitals. An example for a hydrogen atom will be given.
Middle-Ear
发表于 2025-3-25 22:07:56
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alcoholism
发表于 2025-3-26 02:18:34
ons, HFI/NQI 2004, held in Bonn, Germany, 22-27 August, 2004...Researchers and graduate students interested in hyperfine interaction detected by nuclear radiation as well as nuclear quadrupole interactions detected by resonance methods in the areas of materials, biological and medical science will f
Archipelago
发表于 2025-3-26 06:33:48
https://doi.org/10.1007/978-1-4614-8642-8th Fe.N and Fe.C undergo a weak first order transition from high to low spin states under pressure. This transition is sensitively reflected not only by . . but also by EFG. The calculated Curie temperature, magnetic moments and . . well reproduce the experimental observations.
CHANT
发表于 2025-3-26 11:39:37
https://doi.org/10.1057/9780230286511 introduced by the impurities in the host in a fully self-consistent way. From our results for the EFG (in excellent agreement with the experiments), it is clear that the problem of the EFG at Cd impurities in In.O. cannot be described by the point-charge model and antishielding factors.
江湖郎中
发表于 2025-3-26 16:31:39
https://doi.org/10.1057/9780230337633simple linear combination of hydrogen 1s-orbitals. In order to gain more insight into ADF — or other . — calculations it is rather useful to vary structural parameters. In addition to geometry optimisations we propose to vary bond distances and bond angles over extended ranges in order to arrive at a better interpretation of the results.
流眼泪
发表于 2025-3-26 17:37:38
0S6-OH). The density functional theory calculations have been performed with the Amsterdam Density Functional code ADF. A “fingerprint system” is introduced, which allows to assign electric field gradients to certain Ag coordinations in these crown thioether complexes.