用振幅比值方法预言中性粲介子衰变到CP本征态的CP不对称性

用振幅比之方法计算了中性粲介子衰变到CP本征态的CP不对称性. 计算了时间相关和时间积分的CP不对称性. 结果表明, 时间积分的CP不对称参数约为千分之一的量级. 还讨论了在BESⅢ和B工厂上实验检验的可能性.     

Probing new physics in B→J/ψπ0 decay

We calculate the branching ratio of B→J/ψπ0 with a mixed formalism that combines the QCD-improved factorization and the perturbative QCD approaches. The result is consistent with experimental data.The quite small penguin contribution in B→J/ψπ0 decay can be calculated with this method. We suggest two methods to extract the weak phase β. One is through the dependence of the mixing induced CP asymmetry SJ/ψπ0 on the weak phase β, the other is from the relation of the total asymmetry ACP with the weak phase β. Our results show that the deviation △SJ/ψπ0 of the mixing induced CP asymmetry from sin(-2β) is of O(10-3) and has much less uncertainty. The above O(10-3) deviation can provide a good reference for identifying new physics.     

13C CP MAS NMR of halogenated (Cl,Br, I) pharmaceuticals at ultrahigh magnetic fields

This work reports significantly improved spectral resolution of ¹³C CP MAS NMR spectra of chlorinated, brominated and iodinated solid organic compounds when such spectra are recorded at ultrahigh magnetic field strengths. The cause of this is the residual dipolar coupling between carbon atoms and quadrupolar halogen nuclides (chlorine‐35/37, bromine‐79/81 or iodine‐127), an effect inversely proportional to the magnetic field strength which declines in importance markedly at 21.1 T as compared to lower fields. In favorable cases, the fine structure observed can be used for spectral assignment, e.g. for Cl‐substituted aromatics where the substituted carbon as well as the ortho‐carbons show distinct doublets. The experimental results presented are supported by theoretical modeling and calculations. The improved spectral resolution in the studied systems and similar halogenated materials will be of particular interest and importance for polymorph identification, drug discovery and quality control in the pharmaceutical industry. Copyright © 2009 John Wiley & Sons, Ltd.     

Leading order one-loop CP and P violating effective action in the Standard Model

The fermions of the Standard Model are integrated out to obtain the effective Lagrangian in the sector violating P and CP   at zero temperature. We confirm that no contributions arise for operators of dimension six or less and show that the leading operators are of dimension eight. To assert this we explicitly compute one such non-vanishing contribution, namely, that with three Z⁰$Z^0$, two W⁺$W^{+}$ and two W⁻$W^{-}$. Terms involving just gluons and W?s are also considered, however, they turn out to vanish in the P-odd sector to eighth order. The analogous gluonic term in the CP-odd and P-even (C-odd) sector is non-vanishing and it is also computed. The expressions derived apply directly to massive Dirac neutrinos. All CP-violating results display the infrared enhancement already found at dimension six.     

On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes

A comparative study of geometrical parameters is performed on the complexes HF–HF, H₂O–H₂O, and HF–H₂O using 12 different basis sets at the RHF, MP2, and DFT (BLYP and B3LYP) levels of theory. The equilibrium geometries were obtained from uncorrected, a posteriori (counterpoise, CP) and a priori (Chemical Hamiltonian Approach, CHA) BSSE‐corrected potential energy surfaces. The calculation of equilibrium geometries using the CP and CHA schemes is described in details. The effect of the BSSE on various intermolecular parameters is discussed and the performance of the applied theoretical models is critically evaluated from the BSSE point of view. © 2001 John Wiley & Sons, Inc. J Comput Chem 22: 765–786, 2001     

Structural studies on aryl‐substituted enaminoketones and their thio analogues. Part I. Analysis of high‐resolution 1H, 13C NMR and 13C CP MAS spectra combined with GIAO‐DFT calculations

A series of aryl‐substituted enaminoketones and their thio analogues in CDCl₃ solution and in the solid state were studied by the use of high‐resolution ¹H and ¹³C as well as ¹³C cross polarization magic angle spinning (CP MAS) NMR spectra in combination with gauge including atomic orbitals‐density functional theory (GIAO‐DFT) calculations performed at the B3PW91/6–311 + + G(d,p) level of theory using the B3PW91/6‐311 + + G(d,p)‐optimized geometries. The analysis of the ¹³C NMR spectra in solution was done by using the Incredible Natural Abundance DoublE QUAntum Transfer Experiment (INADEQUATE) technique, whereas trends observed in the ¹³C shielding constants, calculated for the compounds studied, were a great help in assigning most of the signals in the ¹³C CP MAS NMR spectra. It was established on the basis of the experimental and theoretical NMR data that both groups of compounds exist in the form of Z‐s‐Z‐s‐E isomers in CDCl₃ solution as well as in the solid state, with the NH hydrogen atom involved in intramolecular hydrogen bonding. This conclusion is in agreement with the fact that some of the compounds studied reveal liquid‐crystalline properties. Three‐bond H, H and C, H coupling constants measured in solution played a crucial role in the structure elucidation. Copyright © 2009 John Wiley & Sons, Ltd.     

光子消灭算符k次幂本征态的量子统计性质

详细讨论了光子消灭算符任意k农幂a~k的正交归一本征态的振幅m(m≤k)次暴压缩和反聚束两种基本非经典效应.     

双参数形变谐振子湮没算符高次幂本征态的量子统计性质

研究双参数形变谐振子湮没算符高次幂本征态的量子统计特性. 结果表明, 当k为偶数时它们都可存在N次方压缩; 并且它们均可呈现反聚束效应.     

A RIEMANN-TYPE DEFINITION OF N-TH CESARO-PERRON INTEGRALS

In this paper, We give a varlational-type definition of (CnP) integrals. It is equivalent to the original definition of Perron-type and to the definition of Riemann-type, in this way the problem on definition of(CnP)′s Riemann-type has been solved completely.     

Structure and in vitro antifungal activity of [2,6‐bis(dimethylaminomethyl)phenyl]diphenyltin(IV) compounds

A set of seven [2,6‐bis(dimethylaminomethyl)phenyl]diphenyltin(IV) ({[(CH₃)₂NCH₂]₂(C₆H₃)}­(C₆H₅)₂Sn⁺X^?) ionic organotin(IV) compounds (X = Br, NO₃, CN, SCN, SeCN, BF₄ and PF₆) has been prepared and characterized by electrospray ionization mass spectrometry, ¹H NMR spectroscopy in CDCl₃,¹¹⁹Sn NMR in CDCl₃ and DMSO‐d₆ solution, as well as by ¹³C and ¹¹⁹Sn CP/MAS NMR spectroscopy and X‐ray diffraction techniques in the solid state. The in vitro antifungal activity of these water‐soluble ionic organotin(IV) compounds was compared with starting compounds and the antifungal drugs currently in clinical use. Copyright © 2002 John Wiley & Sons, Ltd.