標(biāo)題: Titlebook: HFI/NQI 2004; Proceedings of the 1 K. Maier,R. Vianden Conference proceedings 2005 Springer-Verlag Berlin Heidelberg 2005 Hyperfine interac [打印本頁] 作者: deep-sleep 時(shí)間: 2025-3-21 16:27
書目名稱HFI/NQI 2004影響因子(影響力)
書目名稱HFI/NQI 2004影響因子(影響力)學(xué)科排名
書目名稱HFI/NQI 2004網(wǎng)絡(luò)公開度
書目名稱HFI/NQI 2004網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱HFI/NQI 2004被引頻次
書目名稱HFI/NQI 2004被引頻次學(xué)科排名
書目名稱HFI/NQI 2004年度引用
書目名稱HFI/NQI 2004年度引用學(xué)科排名
書目名稱HFI/NQI 2004讀者反饋
書目名稱HFI/NQI 2004讀者反饋學(xué)科排名
作者: Obedient 時(shí)間: 2025-3-21 21:09 作者: 令人發(fā)膩 時(shí)間: 2025-3-22 01:43 作者: Inscrutable 時(shí)間: 2025-3-22 08:06
Comparative Theoretical Study of Hyperfine Interactions of Muonium in A- and B-Form DNAmuonium (. . . .) in A-form and B-form DNA from first-principles with the aim to understand how the different structural geometries of A- and B-form DNA can influence the hyperfine interaction of trapped muonium.作者: 巡回 時(shí)間: 2025-3-22 10:32 作者: 消毒 時(shí)間: 2025-3-22 16:20
Correlation between the EFG Values Measured at the Cd Impurity in a Group of Cu-based Delafossites asition it exhibits almost the same EFG in all delafossites. In this case, Cd does not form its states within the gap in none of the compounds. To arrive to these conclusions we analyzed and calculated various systems (Cd-doped CuAlO. and CuCrO. compounds, fictitious molecules), using the FP-LAPW method.作者: 窩轉(zhuǎn)脊椎動(dòng)物 時(shí)間: 2025-3-22 17:20 作者: Notorious 時(shí)間: 2025-3-23 00:11 作者: 膽大 時(shí)間: 2025-3-23 04:42 作者: 包庇 時(shí)間: 2025-3-23 09:32
The Geneva Conference of 1954 on Indochinatively, are in excellent agreement with experimental data (23.4×10. V/m. and 2.7×10. V/m.), better than those reported in earlier calculations. The calculated EFG for Hf 16c position (4.2×10. V/m.) is stronger than the experimental one (1.1×10. V/m.).作者: 極深 時(shí)間: 2025-3-23 12:28 作者: probate 時(shí)間: 2025-3-23 14:01 作者: 流動(dòng)才波動(dòng) 時(shí)間: 2025-3-23 21:15
Impurity-Vacancy Complexes in Si and Gend 4sp series form distorted substitutional complexes (except Al, which forms a split complex in Si). This trend strongly correlates with the lattice relaxations of nearest neighbors around the isolated (without vacancy) substitutional impurities.作者: Locale 時(shí)間: 2025-3-24 00:41
Electric Field Gradients at Hf and Fe Sites in Hf2Fe Recalculatedtively, are in excellent agreement with experimental data (23.4×10. V/m. and 2.7×10. V/m.), better than those reported in earlier calculations. The calculated EFG for Hf 16c position (4.2×10. V/m.) is stronger than the experimental one (1.1×10. V/m.).作者: 抱狗不敢前 時(shí)間: 2025-3-24 03:57
ind this volume indispensable. New and original scientific results along with recent developments in instrumentation and methods will be communicated in invited and contributed papers..978-3-540-30924-6作者: Mirage 時(shí)間: 2025-3-24 09:37 作者: 漂浮 時(shí)間: 2025-3-24 12:53 作者: 接觸 時(shí)間: 2025-3-24 16:57 作者: garrulous 時(shí)間: 2025-3-24 21:16
The Electric Field Gradient of 111Ag in Macrocyclic Crown Thioethers0S6-OH)[CF.SO.]. 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.作者: 增減字母法 時(shí)間: 2025-3-24 23:35 作者: sed-rate 時(shí)間: 2025-3-25 06:54 作者: cylinder 時(shí)間: 2025-3-25 10:46 作者: 希望 時(shí)間: 2025-3-25 14:18 作者: 討厭 時(shí)間: 2025-3-25 17:47
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.作者: Middle-Ear 時(shí)間: 2025-3-25 22:07 作者: alcoholism 時(shí)間: 2025-3-26 02:18
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作者: Archipelago 時(shí)間: 2025-3-26 06:33
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.作者: CHANT 時(shí)間: 2025-3-26 11:39
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.作者: 江湖郎中 時(shí)間: 2025-3-26 16:31
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.作者: 流眼淚 時(shí)間: 2025-3-26 17:37
0S6-OH)[CF.SO.]. 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.作者: 輕而薄 時(shí)間: 2025-3-26 22:40
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.作者: 漂亮 時(shí)間: 2025-3-27 04:54
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.作者: 異端邪說下 時(shí)間: 2025-3-27 08:21
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.作者: Root494 時(shí)間: 2025-3-27 13:03 作者: PALL 時(shí)間: 2025-3-27 16:10
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.作者: 關(guān)節(jié)炎 時(shí)間: 2025-3-27 20:13
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.作者: 有機(jī)體 時(shí)間: 2025-3-28 01:45
https://doi.org/10.1007/3-540-30924-1Hyperfine interaction; Magnetic Resonance; Materials science; M?ssbauer effect; M?ssbauer spectroscopy; N作者: Institution 時(shí)間: 2025-3-28 04:40 作者: Devastate 時(shí)間: 2025-3-28 07:05 作者: 枯燥 時(shí)間: 2025-3-28 13:45
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.作者: Brain-Imaging 時(shí)間: 2025-3-28 17:44
Calculation of Hyperfine Interaction Parameters: Recent Evolutions, Recent Examplesn this paper, the standard ab initio approach is schematically sketched. New features, methods and possibilities that broke through during the past few years are listed, and their relation to the standard approach is explained. All this is illustrated by some highlights of recent . work done by the . at the K.U.Leuven.作者: 逢迎春日 時(shí)間: 2025-3-28 19:34 作者: Neuropeptides 時(shí)間: 2025-3-28 23:39 作者: 協(xié)迫 時(shí)間: 2025-3-29 04:43 作者: 煩躁的女人 時(shí)間: 2025-3-29 08:41 作者: 誘拐 時(shí)間: 2025-3-29 13:29
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 196作者: ORBIT 時(shí)間: 2025-3-29 17:55
Calculation of Hyperfine Interaction Parameters: Recent Evolutions, Recent Examplesn this paper, the standard ab initio approach is schematically sketched. New features, methods and possibilities that broke through during the past few years are listed, and their relation to the standard approach is explained. All this is illustrated by some highlights of recent . work done by the 作者: LUT 時(shí)間: 2025-3-29 20:10 作者: tympanometry 時(shí)間: 2025-3-30 03:13 作者: 聯(lián)邦 時(shí)間: 2025-3-30 04:30
Study of the Temperature Dependence of the EFG at Cd Impurities in Rutile TiO to simulate the temperature effect, we considered experimental temperature-dependent lattice parameters, and we obtain the structural relaxations introduced by the Cd impurities and the EFG tensor for each lattice parameters set. We found that these relaxations depends on the temperature and are at作者: magnate 時(shí)間: 2025-3-30 09:23
Impurity-Vacancy Complexes in Si and Geave (PPW) and the all-electron Kohn—Korringa—Rostoker (KKR) methods. We find that all impurities of the 5sp and 6sp series prefer the split-vacancy configuration. For Cd and Sn we obtain good agreement of the calculated hyperfine parameters with experimental PAC and EPR data. Impurities of the 3sp a作者: Neolithic 時(shí)間: 2025-3-30 14:03
The Electric Field Gradient Produced by a Gaussian Charge Density Distributionhis charge density is displaced by . . along the .-axis. The system has cylindrical symmetry; hence it suffices to calculate . .(0). It turns out that . .(0) is always smaller than the value with the total charge shrunk into a point. For distances larger than about four times the Gaussian width . th作者: 貧窮地活 時(shí)間: 2025-3-30 20:08 作者: Phagocytes 時(shí)間: 2025-3-30 21:28 作者: micronized 時(shí)間: 2025-3-31 00:50
Hyperfine Fields of Light Interstitial Impurities in Nie method. This method allows to deal with the impurity problem by solving the corresponding Dyson equation for the Green’s function. It also allows to account for lattice relaxations. For this purpose a new technique was developed that allows to handle in principle arbitrary lattice distortions. Cor作者: alcoholism 時(shí)間: 2025-3-31 08:17
FLAPW Study of the EFG Tensor at Cd Impurities in In2O3.O.. Calculations were performed with the FLAPW method that allows us to treat the electronic structure of the doped system and the atomic relaxations 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), 作者: 潛伏期 時(shí)間: 2025-3-31 12:41
Are LCAO-MO Models Useful Estimators for Electric Field Gradients in Simple Molecules?s well as the triangular H. with variable bond distance and bond angle using the Amsterdam Density Functional (ADF) code with calculations based on a simple linear combination of hydrogen 1s-orbitals. In order to gain more insight into ADF — or other . — calculations it is rather useful to vary stru作者: Cantankerous 時(shí)間: 2025-3-31 16:11
The Electric Field Gradient of 111Ag in Macrocyclic Crown Thioetherseld gradients of the metal centres of the macrocyclic crown thioethers Ag(15S5)[BF.], Ag(18S6-CH.OH)[CF.SO.], Ag(18S6)., Ag(19S6-OH)[Tosylat] and Ag(20S6-OH)[CF.SO.]. The density functional theory calculations have been performed with the Amsterdam Density Functional code ADF. A “fingerprint system”作者: convert 時(shí)間: 2025-3-31 17:50
Correlation between the EFG Values Measured at the Cd Impurity in a Group of Cu-based Delafossites a, Cr, Nd). We conclude that this trend reveals one of the most subtle details in electronic spectrum of the compounds: if impurity states are formed within or out of the band gap. In CuAlO. and CuFeO. the Cd EFG exhibits larger value than in CuCrO. and CuNdO., when Cd substitutes the Cu atom. This o作者: confide 時(shí)間: 2025-3-31 22:42
Electric Field Gradients of Fluorides Calculated by the Full Potential KKR Green’s Function Methoda-Kohn-Rostoker (KKR) Green’s function method in the framework of the density functional theory. While EFG calculation of these fluorides are rather difficult in the muffin-tin-potential model, due to its sensitivity to the muffin-tin radius, no difficulties arise in the present full potential treat作者: 手勢(shì) 時(shí)間: 2025-4-1 01:53
Peculiarities of Quadrupolar Relaxation in Electrolyte Solutionsces. It has been shown that quadrupole coupling constants (QCC) of deuterons depend not only on internal electron structure of molecule or ion, but on solution structure as well. To interpret the experimental results quantum-chemical calculations of QCC of deuterons in different molecular complexes 作者: 無畏 時(shí)間: 2025-4-1 10:02
Ordering Effects and Hyperfine Interactions in Fe-N Austenitesactions were used for calculation of temperature dependence of the short range order for Fe. . austenite. For two model structures with different nitrogen distributions, the hyperfine interactions were calculated. It was revealed, that EFG might be nonzero on nuclei even for Fe atoms that do not hav作者: investigate 時(shí)間: 2025-4-1 14:02 作者: 壓倒性勝利 時(shí)間: 2025-4-1 15:10
https://doi.org/10.1007/978-3-642-66332-1ch 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 196
