N-[(2,2–propinyldiferrocenyl)methinyl]benzoyl hydrazone and its bivalent transition metal complexes

Transition Metal Chemistry -     

谐振子薛定谔方程的简单解法

物质的许多物理与化学性质都可以用线性谐振子模型解释，本文用简单的数学运算求解线性谐振子的薛定谔方程，避免了特殊函数等复杂的数学运算，得出了量子力学教材完全相同的结果。     

H2S·HOH or H2O·HSH, which is more stable in the water-hydrogen sulfide complex?

High-level ab initio calculations are carried out to study the relative stability of the two hydrogen bonded structures of water-hydrogen sulfide complex, one with water as the proton donor (A) and the other with hydrogen sulfide as the proton donor (B). The results show that structure A is considerably more stable than B at the correlated level, which is in contrast with previous results obtained from Hartree-Fock calculations.     

Some results on fractionaln-factor-critical graphs

A simple graphG is said to be fractionaln-factor-critical if after deleting anyn vertices the remaining subgraph still has a fractional perfect matching. For fractionaln-factor-criticality, in this paper, one necessary and sufficient condition, and three sufficient conditions related to maximum matching, complete closure are given.     

Champ de vitesse dans un échangeur à vortex en régime turbulentHeat exchanger velocity field with turbulent inlet condition

We consider the isothermal flow through a cylindrical flat chamber, a model of some particular heat exchanger, for which LDV measurements and a numerical simulation have been performed. Experimental results show the establishment of an important vortex zone, the secondary flow extending all along the chamber radius. This observation leads to an expected significant increase of the fluid mixing. Results issued from the numerical simulation appear to be in close agreement with experimental data. Nevertheless, the k–ε model used here must be improved to obtain a better approach near the vortex centre. To cite this article: S. Petitot et al., C. R. Mecanique 330 (2002) 593–599.     

Sortability of Multi-partitions

Recently, the theory of sortability of partition property has been shown to be an effective tool to prove the existence of an optimal partition with that property. In this paper, we extend the theory to multi-partition where the partition is on t types of components. We apply our results to settle an optimal assignment problem whose proof was incomplete as given in the literature.     

Desorption of surfactant and sintering of surface-modified PdxNi1 − x nanoparticles

A series of Pd_xNi_1 − x nanoparticles in a diameter of 6-7 nm were prepared by wet chemical reduction. They were then modified with two surfactants, stearic acid (SA) and polyethylene glycol (PEG). Desorption of the surfactant was studied using a temperature programmed desorption technique, and the sintering behavior of surface-modified Pd_xNi_1 − x nanoparticles was examined. Since surface energy of the nanoparticles depends on the alloy composition, it can be correlated with the desorption temperature of surfactant from the nanoparticle surface. Because Ni has a higher surface energy, the surfactant desorption temperature increases as the Ni content increases. With the same stoichiometry, the desorption temperature of SA is always higher than that of PEG. The SA-modified nanoparticles have higher thermal stability and are less sintered than PEG-modified nanoparticles. The sintering and growth behavior of the nanoparticles can be correlated with variation of surface energy due to different surface modification.     

Separate Polarization Modes Synchronization and Synchronization Switches between Vertical-Cavity Surface-Emitting Lasers

For vertical-cavity surface-emitting lasers (VCSELs) with polarization-rotated feedback, there exist several synchronization types such as synchronizations between total powers and synchronizations between separate polarization modes. Based on the two-mode rate equations, we study and compare numerically the performances of different synchronization types. Our results show that three synchronization types exhibit good performances when their synchronization conditions are satisfied. They are the complete synchronization between total powers, complete synchronization between x-polarized modes, and generalized synchronization between x-polarized and y-polarized modes. The former two types are sensitive to the injection rate and spontaneous emission, while the third type is contrary. Synchronization type with the best performance may switch from one to another, with changing of injection rate and spontaneous emission factor.