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

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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.
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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.).
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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
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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.
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