高能重离子碰撞中正负荷电粒子比单事例起伏研究

用强子和弦级联模型,JPCIAE及相应的Monte Carlo事例产生器,研究相对论性核–核碰撞中有限快度区间内正负荷电粒子比单事例起伏与能量、中心度、共振态衰变及快度间隔的关系.JPCIAE模型能够较好地符合CERN/SPS能区Pb+Pb碰撞的实验结果.本文还用此模型预言了RHIC能区Au+Au碰撞和ALICE能区Pb+Pb碰撞中的正负荷电粒子比单事例起伏.可以看出碰撞能量、中心度、共振态衰变及快度间隔对正负荷电粒子比单事例起伏的影响都不大.     

Theoretical Study of Hydrated Cd~（2＋） Interactions with Guanine

Theoretical study was performed to investigate how the hydration of cadmium ca-tion influences the structure and properties of guanine.The aqueous environment was simulated by both explicit solvent(1-5 water molecules) model and implicit solvent model.For complexes in which Cd2+ attached to the N(7) and O(6) sites of guanine,energy analysis together with the Natural Bonding Orbital(NBO) analysis were performed to elucidate the bonding characteristics in detail.The most stable structures are penta-coordinate complexes without aqua ligand located at the guanine site.Higher number of water ligands corresponds to higher stabilization energies.Average bonding energies of G-Cd increase with the number of water molecules.Bonding energies of water ligands depend on its position in the complexes.The charge distribution of guanine changed with increasing the number of water ligands,which may also influence the base-pairing pattern of guanine.There is positive charge transfer from guanine to aqua ligand as the number of the hydration waters increases.IEFPCM optimization has results comparable to the [CdG(H2O)5]2+ structure 5a.     

The structure and magnetic properties of cobalt ferrite nanoparticles synthesized in a system of direct micelles of amphiphiles by means of ion flotoextraction

A method for obtaining nanoparticles in a system of direct micelles of amphiphiles using ion flotoextraction for concentrating ions from diluted water solutions is developed. Nanoparticles of the composition CoFe₂O₄ with a structure close to spinel are obtained. It is established that the particles consist of two components: well-formed phases of cobalt ferrite CoFe₂O₄ and its amorphous analog. It is shown that the nanoparticles have a maximum size distribution ranging from 4 to 6 nm; on a carbon substrate, they self-organize into a periodic colloidal structure. It is concluded that nanosized CoFe₂O₄ powder has a blocking temperature of about 45 K, a magnetic moment of about 0.85–0.9μ_B at a temperature of 0 K, and the Neöl temperature lies in the range of 110 to 250 K.     

Preparation and Storage of Silver Nanoparticles in Aqueons Polymers

以水溶性聚合物为保护剂,采用化学还原法制备了银纳米粒子,分别利用透射电子显微镜、紫外可见光谱、同步光散射光谱等手段对其进行了表征,并探索了制备银纳米粒子的最佳实验条件。通过将银纳米粒子-聚合物溶液进行脱水,得到含有银纳米粒子的固态聚合物膜。将固态聚合物膜重新溶解于水,其水溶液的紫外可见光谱与脱水前的溶液进行了比较,发现两者性质并无明显差异。因此,将银纳米粒子分散固定在聚合物膜中是一种崭新而有效的银纳米粒子制备和存储方法。     

A vibronic model for exchange-coupled mixed-valence dimers

A quantum-mechanical calculation of the spin—vibronic states of an exchange-coupled mixed-valence dimer is presented. It is shown that the temperatur     

Spin crossover behavior in a family of iron(II) zigzag chain coordination polymers

The paper reports the synthesis and detailed characterization of two new Fe(II) compounds: [Fe(pyim)(2)(bpen)](ClO(4))(2).2C(2)H(5)OH (2) and [Fe(pyim)(2)(bpe)](ClO(4))(2).C(2)H(5)OH (3) (pyim = 2-(2-pyridyl)imidazole, bpen = 1,2-bis(4-pyridyl)ethane, and bpe = 1,2-bis(4-pyridyl)ethene). Both compounds and the earlier synthesized [Fe(pyim)(2)(bpy)](ClO(4))(2).2C(2)H(5)OH (1) (bpy = 4,4'-bipyridine) form a family of one-dimensional spin crossover coordination polymers. Variable-temperature magnetic susceptibility measurements and M?ssbauer spectroscopy have revealed rather gradual spin transitions centered at 176 and 198 K for 2 and 3, respectively. The fitting of magnetic properties with the regular solution model leads to the enthalpy and entropy of spin transitions and the cooperativity parameter equal to DeltaH = 12.3 kJ mol(-1), DeltaS = 68.5 J mol(-1) K(-1), Gamma = 1.80 kJ mol(-1) for 2 and DeltaH = 13.6 kJ mol(-1), DeltaS = 68.1 J mol(-1) K(-1), Gamma = 2.05 kJ mol(-1) for 3. The crystal structures of 2 and 3, resolved by X-ray diffraction at 293 K, belong to the monoclinic space group C2/c (Z = 4). Both compounds display a one-dimensional infinite zigzag-chain structure. The polymer chains are stacked into two-dimensional sheets through intermolecular pi-interactions. The crystal packing of both compounds encloses two kinds of channels in which the counter ions and ethanol molecules are inserted. The DFT calculations of binuclear fragments extracted from three polymers resulted in the energy gaps between the LS and HS states being ordered as the observed transition temperatures. The influence of bridging ligands in the studied family of compounds was found in the modulation of the energy gap between the LS and HS states, leading to different transition temperatures.     

Spin crossover phenomenon accompanying order-disorder phase transition in the ligand of [FeII(DAPP)(abpt)](ClO4)2 compound (DAPP = bis(3-aminopropyl)(2-pyridylmethyl)amine, abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole) and its successive self-grinding effect

The spin crossover phenomenon of the recently described spin crossover complex [FeII(DAPP)(abpt)](ClO4)2 [DAPP = bis(3-aminopropyl)(2-pyridylmethyl)amine, abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole] accompanying an order-disorder phase transition of the ligand was investigated by adiabatic heat capacity calorimetry, far-IR, IR, and Raman spectroscopies, and normal vibrational mode calculation. A large heat capacity peak due to the spin crossover transition was observed at T(trs) = 185.61 K. The transition enthalpy and entropy amounted to Delta(trs)H = 15.44 kJ mol-1 and Delta(trs)S = 83.74 J K-1 mol-1, respectively. The transition entropy is larger than the expected value 60.66 J K-1 mol-1, which is contributed from the spin multiplicity (R ln 5; R: the gas constant), disordering of the carbon atom of the six-membered metallocycle in the DAPP ligand, and one of the two perchlorate anions (2R ln 2), and change of the normal vibrational modes between the high-spin (HS) and low-spin (LS) states (35.75 J K-1 mol-1). The remaining entropy would be ascribed to changes of the lattice vibrations and molecular librations between the HS and LS states. Furthermore, [Fe(DAPP)(abpt)](ClO4)2 crystals disintegrated and became smaller crystallites whenever they experienced the phase transition. This may be regarded as a successive self-grinding effect, evidenced by adiabatic calorimetry, DSC, magnetic susceptibility, and microscope observation. The relationship between the crystal size and the physical quantities is discussed.     

STUDY ON TARGET RESIDUES FROM THE INTERACTION OF COPPER WITH 44MeV/A12C IONS

Cross sections and average forward ranges were determined for 35 target residues from the interaction of copper with 44MeV/A¹²C ions with nuclear chemistry techniques.From these data the isobaric yield distribution,the mass yield distribution and the longitudinal momentum transfer were obtained.The mass yield distribution and the isobaric yield distribution are in good agreement with those calculated from a modified statistical model and corresponding Monte Carlo technique.     

STUDY OF πNN VERTEX FROM HADRON AND QUARK POINT OF VIEW

we have identified the first-order mixing amplitude of πNN process described by the hadron model with the second-order mixing amplitude of the same process described by the quark model.Then the expression for the coupling constant f_π of the πNN vertex with different quark wave functions and gluon propagators in different approximations has been derived. The calculation results of f_π have been compared with experimental data.