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81.
Hydrogen bonding between early and late transition metal complexes is proposed as a strategy to obtain ferromagnetic interactions based on a theoretical study using density functional calculations. 相似文献
82.
Arbe A Colmenero J Alvarez F Monkenbusch M Richter D Farago B Frick B 《Physical review letters》2002,89(24):245701
We report quasielastic neutron scattering experiments exploring the alpha relaxation in polyisoprene over an unprecedented range in momentum transfer. Corroborating and validating earlier molecular dynamics simulations, the measurements reveal a crossover from a Gaussian regime of sublinear diffusion to a strongly non-Gaussian regime at short distances. We show that a consistent interpretation in terms of a distribution of finite jumps underlying the alpha process is possible. This model leads to a time-dependent non-Gaussian parameter exhibiting all features revealed so far from various simulations. 相似文献
83.
We study the thermal transport properties of several quantum-spin chains and ladders. We find indications for a diverging thermal conductivity at finite temperatures for the models examined. The temperature at which the nondiverging prefactor kappa((th))(T) peaks is, in general, substantially lower than the temperature at which the corresponding specific heat c(V)(T) is maximal. We show that this result of the microscopic approach leads to a substantial reduction for estimates of the magnetic mean-free path lambda extracted by analyzing recent experiments, as compared to similar analyses by phenomenological theories. 相似文献
84.
A lattice spin-fermion model for diluted magnetic semiconductors (DMS) is investigated numerically, improving on previously used mean-field approximations. Curie temperatures are obtained varying the Mn spin x and hole n densities, and the impurity-hole exchange J in units of the hop-ping t. Optimal values are found in the subtle intermediate regime between itinerant and localized carriers. At intermediate and large J/t, a "clustered" state is observed above the Curie temperature and ferromagnetism is suppressed. Formal analogies between DMS and manganites are discussed. 相似文献
85.
C. Andreoiu M. Axiotis G. de Angelis J. Ekman C. Fahlander E. Farnea A. Gadea T. Kröll S.M. Lenzi N. Mărginean T. Martinez M.N. Mineva C. Rossi Alvarez D. Rudolph C.A. Ur 《The European Physical Journal A - Hadrons and Nuclei》2002,15(4):459-462
Excited states in 59Zn were observed for the first time following the fusion-evaporation reaction 24Mg + 40Ca at a beam energy of 60 MeV. The GASP array in conjunction with the ISIS Silicon ball and the NeutronRing allowed for the
detection of γ-rays in coincidence with evaporated light particles. The mirror symmetry of 59Zn and 59Cu is discussed.
Received: 28 May 2002 / Accepted: 10 July 2002 / Published online: 3 December 2002
RID="a"
ID="a"Present address: Oliver Lodge Laboratory, University of Liverpool, P.O. Box 147, Liverpool, L69 7ZE, United Kingdom; e-mail: ca@ns.ph.liv.ac.uk.
RID="b"
ID="b"Present address: Physik-Departament, Technische Universit?t München, D-85748 Garching, Germany.
Communicated by W. Henning 相似文献
86.
87.
In beam measurements have been made of the F colouring curves in NaCl between 20 and 300°C. The first colouring stage has been empirically fitted by up to three exponential components which become smaller and faster with increasing temperature. A model is presented which gives physical significance to the fitting parameters. 相似文献
88.
A new strategy for carotenoid butenolides has been developed that is based in part in halogen-selective Stille cross-coupling of dihalogenated ylidenebutenolide segment 2 and highly functionalized alkenylstannanes. [reaction: see text] 相似文献
89.
Esteves PM Araújo CL Horta BA Alvarez LJ Zicovich-Wilson CM Ramírez-Solís A 《The journal of physical chemistry. B》2005,109(26):12946-12955
Details on the mechanism of HF catalyzed isobutylene-isobutane alkylation were investigated. On the basis of available experimental data and high-level quantum chemical calculations, a detailed reaction mechanism is proposed taking into account solvation effects of the medium. On the basis of our computational results, we explain why the density of the liquid media and stirring rates are the most important parameters to achieve maximum yield of alkylate, in agreement with experimental findings. The ab initio Car-Parrinello molecular dynamics calculations show that isobutylene is irreversibly protonated in the liquid HF medium at higher densities, leading to the ion pair formation, which is shown to be a minimum on the potential energy surface after optimization using periodic boundary conditions. The HF medium solvates preferentially the fluoride anion, which is found as solvated [FHF](-) or solvated F(-.)(HF)(3). On the other hand, the tert-butyl cation is weakly solvated, where the closest HF molecules appear at a distance of about 2.9 Angstrom with the fluorine termination of an HF chain. 相似文献
90.
Niedermaier O Scheit H Bildstein V Boie H Fitting J von Hahn R Köck F Lauer M Pal UK Podlech H Repnow R Schwalm D Alvarez C Ames F Bollen G Emhofer S Habs D Kester O Lutter R Rudolph K Pasini M Thirolf PG Wolf BH Eberth J Gersch G Hess H Reiter P Thelen O Warr N Weisshaar D Aksouh F Van den Bergh P Van Duppen P Huyse M Ivanov O Mayet P Van de Walle J Aystö J Butler PA Cederkäll J Delahaye P Fynbo HO Fraile LM Forstner O Franchoo S Köster U Nilsson T Oinonen M Sieber T Wenander F Pantea M 《Physical review letters》2005,94(17):172501
We report on the first radioactive beam experiment performed at the recently commissioned REX-ISOLDE facility at CERN in conjunction with the highly efficient gamma spectrometer MINIBALL. Using 30Mg ions accelerated to an energy of 2.25 MeV/u together with a thin (nat)Ni target, Coulomb excitation of the first excited 2+ states of the projectile and target nuclei well below the Coulomb barrier was observed. From the measured relative deexcitation gamma-ray yields the B(E2;0(+)gs-->2(+)1) value of 30Mg was determined to be 241(31)e2 fm4. Our result is lower than values obtained at projectile fragmentation facilities using the intermediate-energy Coulomb excitation method, and confirms the theoretical conjecture that the neutron-rich magnesium isotope 30Mg resides outside the "island of inversion." 相似文献