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1.
DING Bin-Gang ZHANG Da-Li LU Ding-Hui 《理论物理通讯》2006,46(1):113-118
We calculate the binding energies of Ni, Cu, Xe, Cs, Pt, Au, Np, Pu isotope chains using two interaction parameter sets NL-3 and NL-Z, and compared the relative errors of the even-even nuclei with those of odd-even nuclei and odd-odd nuclei. We find that the errors of binding energy of odd-even and odd-odd nuclei are not bigger than the one of even-even nuclei. The result shows that comparing with even-even nuclei, there is no systematic error and approximation in the calculations of the binding energy of odd-even and odd-odd nuclei with relativistic mean-field theory. In addition, the result is explained theoretically. 相似文献
2.
Ernesto Quesada 《Tetrahedron letters》2004,45(25):4877-4881
The first syntheses of newly isolated members of the Preussomerin family, Preussomerins K and L, are reported. Key steps include the functionalisation of a 2-arylacetal anion, one-pot Friedel-Crafts cyclisation-deprotection and reductive opening of epoxides. 相似文献
3.
4.
M. Gutowski I. Dabkowska J. Rak S. Xu J.M. Nilles D. Radisic K.H. Bowen Jr 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,20(3):431-439
The photoelectron spectra (PES) of anions of uracil-glycine and uracil-phenylalanine complexes reveal broad features with
maxima at 1.8 and 2.0 eV. The results of ab initio density functional B3LYP and second order M?ller-Plesset theory calculations indicate that the excess electron occupies a
π* orbital localized on uracil. The excess electron attachment to the complex can induce a barrier-free proton transfer (BFPT)
from the carboxylic group of glycine to the O8 atom of uracil. As a result, the four most stable structures of the anion of
uracil-glycine complex can be characterized as the neutral radical of hydrogenated uracil solvated by the anion of deprotonated
glycine. The similarity between the PES spectra for the uracil complexes with glycine and phenylalanine suggests that the
BFPT is also operative in the case of the latter anionic species. The BFPT to the O8 atom of uracil may be related to the
damage of nucleic acid bases by low energy electrons because the O8 atom is involved in a hydrogen bond with adenine in the
standard Watson-Crick pairing scheme.
Received 6 April 2002 Published online 13 September 2002 相似文献
5.
A pseudopotential depending on an effective core radius is proposed to study the binding energy, equation of state, ion-ion
interaction, phonon dispersion curves (q-space and r-space analysis), mode Grüneisen parameters and dynamical elastic constants
of some fcc f-shell metals La, Yb, Ce and Th. The contribution of the s-like electrons is calculated in the second-order perturbation
theory for the potential while d and f-like electron is taken into account by introducing repulsive short-range Born-Mayer
term. The parameter of the potential is evaluated by zero pressure condition. An excellent agreement between theoretical investigations
and experimental findings is achieved which confirms the present formalism 相似文献
6.
Thermal, spectroscopic and electrical properties of lead pyrophosphate glass prepared by melt quenching have been examined.
A model based on the structural disproportionation of the P2O
7
4−
ions has been proposed and is shown to consistently explain all the observations. The equilibrium of various anionic species
has been discussed on the basis of their electronegativities which are in turn related to their basicities.
Communication No. 129 from the Materials Research Centre 相似文献
7.
We have investigated the effects of the magnetic field which is directed perpendicular to the well on the binding energy of the hydrogenic impurities in an inverse parabolic quantum well (IPQW) with different widths as well as different Al concentrations at the well center. The Al concentration at the barriers was always xmax=0.3. The calculations were performed within the effective mass approximation, using a variational method. We observe that IPQW structure turns into parabolic quantum well with the inversion effect of the magnetic field and donor impurity binding energy in IPQW strongly depends on the magnetic field, Al concentration at the well center and well dimensions. 相似文献
8.
Summary The enzymes a-amylase, invertase and glucoamylase were immobilized on acid activated montmorillonite using two techniques,
viz. adsorption and covalent binding, and their activities were tested in a batch and packed-bed reactor and were compared. The
packed-bed reactor showed an improved performance for all immobilized enzymes, which was attributed to lowering of diffusional
restrictions to mass transfer. Lower activity in case of batch reactor for immobilized invertase was due to a combined effect
of loss of native conformation of enzyme on account of immobilization and mass transfer resistances due to improper diffusion
of substrate to the active site of enzyme. For immobilized glucoamylase, the packed-bed reactor demonstrated exceptionally
high activity that was very close to the free enzyme. Covalently bound glucoamylase showed higher activity than the free enzyme. 相似文献
9.
Sungjae In Jongmin Kang 《Journal of inclusion phenomena and macrocyclic chemistry》2006,54(1-2):129-132
Methylene-bridged bis-imidazolium receptor 1 has been synthesized. Anion binding studies carried out using 1H NMR revealed that this compound displayed good affinities for acetate, while binding spherical halide anions weakly. 相似文献
10.