CCSD(T) study on the structures and chemical bonds of AnO molecules (An = Bk–Lr)

The molecular geometries and dissociation energies of AnO (An = Bk–Lr) molecules were first obtained at thecoupled-cluster single-, double-, and perturbative triple-excitations [CCSD(T)] level of theory. Four hybrid functionals,B3LYP, M06-2X, TPSSh, and PBE0, were also employed in the calculations for the sake of comparison. In comparison ofthe CCSD(T) results, B3LYP, TPSSh, and PBE0 functionals can obtain more appropriate results than M06-2X and MP2.The analyses on molecular orbitals show that the 7s, 6d, and 5f atomic orbitals of actinide (An) atoms participate in thebonding of An–O bonds. The partial covalent nature between An and O atoms is revealed by QTAIM analyses.     

^13C的一个可能的类晕的中子1p态

假设^13C是单粒子的2p态的结构，用Glauber多重散射理论研究了入射能量为1GeV的质子在^13C上的弹性散射，得到了与实验符合得很好的理论结果。这说明^13C可能存在着一个类晕的中子皮。     

Nuclear Shadowing Effect on the K Factor in Au—Au Collisions

We investigate the nuclear shadowing effect on the K factor in the Drell-Yan process by introducing a Shadowing factor into the corresponding quantum chromodynamical αs order corrections.K factors for Au-Au collisions are calculated at the centre-of-mass system energies √s=60,130 and 200 GeV while the nuclear shadowing factor is taken into account.The numerical results indicate that the nuclear shadowing factor obviously raises the K value in the small x region,and for the same nucleon the K valus becomes smaller as the energy increases.The nuclear shadowing effect could be one reason for creating the non-constancy of the K factor.     

Realization of the Fredkin Gate by Three transition Pulses in a Nuclear Magnetic Resonance Quantum Information Processor

We have experimentally realized the Fredkin gate with only three transition pulses in a solution of alanine.It appears that no experimental realization of the Fredkin gate with fewer pulses has been reported yet.In addition,the simple structure of our scheme makes it easy to implement in experiments.     

New Explicit Solitary Wave Solutions and Periodic Wave Solutions for the Generalized Coupled Hirota－Satsuma KdV system

In this paper,we study the generalized coupled Hirota-Satsuma KdV system by using the new generalized transformation in homogeneous balance method.As a result,many explicit exact solutions,which contain new solitary wave solutions,periodic wave solutions,and the combined formal solitary wave solutions,and periodic wave solutions ,are obtained.     

A Novel Biomass Supported Na2CO3 System for Flue Gas Desulfurization

The breakthrough and stoichiometric SO2 adsorption efficiencies of a biomass supported Na2CO3 system (80 wt %Na2CO3/straw) have reached 48.9% and 80.6% respectively at a desulfurization temperature of 80℃.     

A Convenient and Efficient Procedure fox Oxime Ethers

Acetophenone oxime and benzaldehyde oxime were converted to oxime ethers in the presence of alkyl halide or methyl sulfate and KOH in aqueous DMSO in 5 to 70 min. The yields of oxime ethers were 70-96%.     

层次分析法参数化的随机模型

建立了层次分析法参数化的随机模型，通过计算难度系数，得出权向量，从而有利于广泛应用且真实可靠。     

基片温度和退火对DdIn2O4薄膜光学性质和载流子浓度的影响

对射频反应性溅射Cd-In合金靶制备的透明导电CdIn2O4薄膜，研究了基片温度及沉积后在氩气流中退火对薄膜的透射、反射和吸收光谱，光学常数和载流子浓度的影响。结果表明：提高基片温度减少了薄膜的载流子浓度，退火增加了薄膜的载流子浓度。随着基片温度提高，薄膜折射率n和消光系数κ的短波峰将逐渐蓝移，而退火使其出现红移。基片温度和退火对薄膜光学常数的影响与其对薄膜载流子浓度的影响是一致的。在制备CdIn2O4这样一种对于沉积方法和沉积条件极为敏感的透明导电薄膜的沉积过程中，这一现象对于实时监控具有极为重要的意义。