Search results for "trap"
showing 10 items of 2144 documents
H2 O, H2 , HF, F2 and F2 O nuclear magnetic shielding constants and indirect nuclear spin-spin coupling constants (SSCCs) in the BHandH/pcJ-n and BHa…
2009
Good performance of segmented contracted basis sets XZP, where X = D, T, Q and 5, for obtaining H(2)O, H(2), HF, F(2) and F(2)O nuclear isotropic shielding constants in the BHandH Kohn-Sham basis set limit was shown. The results of two- and three-parameter complete basis set limit extrapolation schemes were compared with experimental results, earlier literature data and benchmark ab initio results. Similar convergence patterns of shieldings obtained from calculations using general purpose XZP basis sets and from polarization-consistent basis sets pcS-n and pcJ-n, where n = 0, 1, 2, 3 and 4, designed to accurately predict magnetic properties were observed. On the contrary, the SSCCs were mor…
Strong-coupling expansion for the anharomonic oscillators −d2/dx 2+x 2+λx 2N
1992
A perturbation expansion based on a modified and scaled harmonic oscillator combined with Pade extrapolation techniques has been used to determine the expansion of the ground-state energy in fractional and negative powers of the coupling constant, valid for large values of λ.
Array of planar Penning traps as a nuclear magnetic resonance molecule for quantum computation
2005
An array of planar Penning traps, holding single electrons, can realize an artificial molecule suitable for NMR-like quantum information processing. The effective spin-spin coupling is accomplished by applying a magnetic field gradient, combined to the Coulomb interaction acting between the charged particles. The system lends itself to scalability, since the same substrate can easily accommodate an arbitrary number of traps. Moreover, the coupling strength is tunable and under experimental control. Our theoretical predictions take into account a realistic setting, within the reach of current technology.
Anti-Hypotensive Treatment and Endothelin Blockade Synergistically Antagonize Exercise Fatigue in Rats under Simulated High Altitude
2013
Rapid ascent to high altitude causes illness and fatigue, and there is a demand for effective acute treatments to alleviate such effects. We hypothesized that increased oxygen delivery to the tissue using a combination of a hypertensive agent and an endothelin receptor A antagonist drugs would limit exercise-induced fatigue at simulated high altitude. Our data showed that the combination of 0.1 mg/kg ambrisentan with either 20 mg/kg ephedrine or 10 mg/kg methylphenidate significantly improved exercise duration in rats at simulated altitude of 4,267 m, whereas the individual compounds did not. In normoxic, anesthetized rats, ephedrine alone and in combination with ambrisentan increased heart…
Non-accumulation of critical points of the Poincaré time on hyperbolic polycycles
2007
We call Poincare time the time associated to the Poincar6 (or first return) map of a vector field. In this paper we prove the non-accumulation of isolated critical points of the Poincare time T on hyperbolic polycycles of polynomial vector fields. The result is obtained by proving that the Poincare time of a hyperbolic polycycle either has an unbounded principal part or is an almost regular function. The result relies heavily on the proof of Il'yashenko's theorem on non-accumulation of limit cycles on hyperbolic polycycles.
Investigation of the magnetic field fluctuation and implementation of a temperature and pressure stabilization at SHIPTRAP
2011
Abstract Penning traps have proven to be powerful tools for the determination of nuclear masses with high accuracy. A crucial parameter for precision mass measurements in Penning traps is the accurate determination of the magnetic-field strength. However, the magnetic field of a superconducting magnet is not constant in time, but changes due to intrinsic effects of the solenoid and external perturbations. These effects have been investigated for SHIPTRAP. Furthermore, a stabilization of the temperature in the magnet bore as well as of the pressure in the liquid-helium cryostat has been implemented. Thus, the magnetic-field related uncertainties have been reduced to 7(6)×10−11/h.
Synthesis and Electrochemistry of Aluminum Porphycenes. Crystal and Molecular Structure of Methyl-σ-Bonded Aluminum Etioporphycene
1997
The synthesis and characterization of three monomeric aluminum porphycenes with anionic or σ-bonded axial ligands is reported. The investigated compounds are represented as ( EtioPc ) Al ( CH 3) and ( EtioPc ) AlX where EtioPc represents the dianion of etioporphycene and X = Cl − or OH −. Each synthesized complex was characterized by mass spectrometry. 1 H NMR, IR and UV-visible spectroscopies as well as by electrochemistry. Comparisons are made between the properties of complexes in the aluminum etioporphycene series and related chloro- or methyl σ-bonded Al ( III ) porphyrins containing octaethylporphyrin ( OEP ) or tetraphenylporphyrin ( TPP ) macrocycles. Comparisons are also made betw…
Monodisperse Dialkoxy-Substituted Oligo(phenyleneethenylene)s
2006
Individual but connected synthetic routes for the preparation of the all-E-configured 2,5-dipropoxy-substituted oligo(1,4-phenyleneethenylene)s 1a–g were developed. An increasing number of conjugated stilbene units from n = 1 to n = 11 led to a convergent bathochromic shift (Δλ = λ∞ − λ1 = 127 nm) in the UV/Vis absorption. An exponential function for the convergence of the absorption energies (wavelengths) in conjugated systems is proposed. By a simple extrapolation of this function the effective chain length may be determined.
Computer Simulations of I-Center Annealing in KCl and KBr Crystals. Theoretical Interpretation of Thermostimulated Experiments
1995
Results of computer simulations of the kinetics of correlated annealing of pairs of close α–I and F–I centers in KCI and KBr crystals, enhanced by I-center diffusion and Coulomb or elastic attractions, respectively, are presented. Special attention is paid to the conditions under which multi-stage annealing stages arise as it has been observed experimentally more than once. Our general conclusions are: (i) a weak elastic interaction affects the recombination kinetics and the survival probability even for relatively well-separated F–I pairs, the more so is true for the case of Coulomb attraction between charged α–I pairs; (ii) the multi-step (kink) structure arises only for close (typically,…
Tetrahedra from Aryleneethenylenes – From small Molecules to Luminescent Glasses
2004
AbstractThe fourfold Horner olefination of tetraphenylmethane or –silane with fourp-methyl- phosphonate groups and a variety of aromatic aldehydes with donor groups or extended conjugated systems results in the formation of tetrahedra from four chromophores connected via a central atom. Electronic spectra in solution reveal an electronic interaction between the π-systems. In the solid state, the emission of compounds with a dense packing is nearly identical to the solution spectra, more open structures show significant red shifts. The emission of scaffolds with 1-styrylpyrene chromophores is nearly completely quenched. Most of these tetrahedra are thermally stable up to 420°C. Depending on …