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11.
The First Intramolecular Charge Transfer Transition Based on 2-Ureido-4[1H]-pyrimidinone Binding Module 总被引:1,自引:0,他引:1
The first intramolecular charge transfer transition based on 2-ureido-4[1H]-pyrimidinone binding module was reported. 相似文献
12.
13.
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
14.
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
15.
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
16.
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
17.
在手征SU(3)夸克集团模型下, 通过共振群方法(RGM)计算了双Λ超核^6_ΛΛHe,^5_ΛΛHe,^5_ΛΛH,^4_ΛΛHe,和^4_ΛΛH的结合能. 结果表明, 假定双Λ超核具有双Λ集团和壳心核集团构成的两集团结构, 得到的^6_ΛΛHe超核的结合能与实验值基本吻合, 表明手征SU(3)夸克集团模型不仅能较好地描述重子谱、N-N和Y-N相互作用及轻Λ超核的结合能, 也能较好地描述Y-Y相互作用及双Λ超核^6_ΛΛHe,^5_ΛΛHe,^5_ΛΛH,^4_ΛΛHe,和^4_ΛΛH的结合能, 指出了它们存在的可能性. 相似文献
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19.
We investigate the self-energy of one electron coupled to a quantized radiation field by extending the ideas developed in Hainzl (Ann. H. Poincaré, in press). We fix an arbitrary cut-off parameter Λ and recover the α2-term of the self-energy, where α is the coupling parameter representing the fine structure constant. Thereby we develop a method which allows to expand the self-energy up to any power of α. This implies that perturbation theory in α is correct if Λ is fix. As an immediate consequence we obtain enhanced binding for electrons. 相似文献
20.
HOU Zhao-Yu GUO Ai-Qiang 《理论物理通讯》2007,47(4):690-694
We modify the square of virtual photon four-momentum by using nuclear binding energy formula, and calculate the effect of nuclear binding energy to K factor and Compton subprocess and annihilate subprocess in A-A collision Drell-Yan process. The outcome indicates that the effect of nuclear binding energy to K factor is obvious in little x region and it would disappear gradually as x increases. 相似文献