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81.
《Journal of Physics and Chemistry of Solids》2004,65(4):799-803
The application of theoretical methods based on density functional theory using generalized-gradient approximation functionals provides reasonable estimates of the exchange coupling constants for polynuclear transition metal complexes. Calculations for the complete, non-modeled Fe19 complex have been performed and a comparison with the experimental magnetic susceptibility values using Monte Carlo simulations is presented. 相似文献
82.
Based on the algebraic entanglement measure proposed [G. Vidal et al., Phys. Rev. A 65 (2002) 032314],we study the entanglement evolution of both pure quantum states and mixed ones of 2-qutrit system in a symmetrybroken environment consisting of a fermionic bath. Entanglement of states will decrease or remain constant under the influence of environment, and the class of states which remain unchanged has been found out. 相似文献
83.
A method for fabricating well-dispersed nanowire suspension has been demonstrated in the paper. Thin gold nanowires were prepared by template synthesis, and then functionalized with sulphonate group-terminated thiols before suspended in different solvents. The degree of aggregation of the obtained suspension was evaluated with transmission electron microscopy (TEM) and UV-vis spectroscopy. It was found that the degree of aggregation was predominated by the solvents, and the best degree of dispersion was obtained when isopropyl alcohol (IPA) was used as the solvent. The gold nanowires from the suspension can be selectively assembled onto chemically patterned substrates. This well-dispersed nanowire suspension is potentially useful for fabricating novel nanodevices. 相似文献
84.
85.
86.
B.V. Raghavaiah 《Journal of Physics and Chemistry of Solids》2004,65(6):1153-1164
PbO-Sb2O3 glasses added with different concentrations of As2O3 (10-55 mol%) were prepared to understand their IR spectra, elastic properties (Young's modulus E, Shear modulus G, microhardness H), optical absorption and dielectric properties (constant ε, loss tan δ, ac conductivity σac over a moderately wide range of frequency and temperature and breakdown strength in air medium at room temperature). Results have indicated that the structure of the PbO-Sb2O3-As2O3 glass is more rigid when the concentration of As2O3 is around 40 mol%. 相似文献
87.
Gowravaram Sabitha G.S.Kiran Kumar ReddyK.Bhaskar Reddy J.S. Yadav 《Tetrahedron letters》2003,44(34):6497-6499
The three component condensation of an aldehyde, a β-keto ester and urea (thiourea) in the presence of a catalytic amount of VCl3 is disclosed for the solution phase synthesis of dihydropyrimidinones. The ease of synthesis and work-up allowed the parallel synthesis of a 48-membered library of dihydropyrimidinones quickly and efficiently in good yields. 相似文献
88.
The Mannich-type reaction of imines with (1-methoxy-2-methylpropenyloxy)trimethylsilane and aza-Diels-Alder reaction of imines with Danishefsky's diene can be carried out in scCO2 in the presence of lithium heptadecafluorooctanesulfonate which offer a way to synthesize β-amino carbonyl compounds and nitrogen-containing six-membered ring compounds under environmentally benign conditions. 相似文献
89.
Investigation of one step synthesis of 2-substituted 3-tri-(or di-)fluoromethyl-2-propenals has been carried out using versatile aldehydes, tri- or di-fluoroacetaldehyde ethyl hemiacetal in the presence of diethylaminotrimethylsilane (DEATMS) in an ionic liquid, and it was demonstrated that this route enabled us to successfully construct 2-substituted 3-tri-(or di-)fluoromethyl-2-propenals with the high level selectivity of geometric isomers. 相似文献
90.
Takayuki Yaegashi Shinya Yodoya Masahiko Nakamura Hiroki Takeshita Katsuhiko Takenaka Tomoo Shiomi 《Journal of polymer science. Part A, Polymer chemistry》2004,42(4):999-1007
Free‐radical homo‐ and copolymerization behavior of N,N‐diethyl‐2‐methylene‐3‐butenamide (DEA) was investigated. When the monomer was heated in bulk at 60 °C for 25 h without initiator, rubbery, solid gel was formed by the thermal polymerization. No such reaction was observed when the polymerization was carried out in 2 mol/L of benzene solution with with 1 mol % of azobisisobutyronitrile (AIBN) as an initiator. The polymerization rate (Rp) equation was Rp ∝ [DEA]1.1[AIBN]0.51, and the overall activation energy of polymerization was calculated 84.1 kJ/mol. The microstructure of the resulting polymer was exclusively a 1,4‐structure where both 1,4‐E and 1,4‐Z structures were included. From the product analysis of the telomerization with tert‐butylmercaptan as a telogen, the modes of monomer addition were estimated to be both 1,4‐ and 4,1‐addition. The copolymerizations of this monomer with styrene and/or chloroprene as comonomers were also carried out in benzene solution at 60 °C. In the copolymerization with styrene, the monomer reactivity ratios obtained were r1 = 5.83 and r2 = 0.05, and the Q and e values were Q = 8.4 and e = 0.33, respectively. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 999–1007, 2004 相似文献