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91.
A. Louise Perkins 《BIT Numerical Mathematics》1992,32(4):598-608
The choice of data structures influences the parallelization, efficiency and the manageability of a mesh refinement program. We introduce a mixed directed-undirected graph that combines both communication and scheduling needs. An inverted index is maintained for the directed graph to improve code performance and readability.This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract No. W-7405-Eng-48. 相似文献
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95.
A. O. Manyashin A. I. Fomenko V. N. Storozhenko N. T. Berberova 《Russian Journal of Electrochemistry》2003,39(11):1240-1244
Stoichiometry and kinetics of reactions of 2,6-diphenyl-4-chloropyrylium, 4-chloroflavylium, 4-bromoflavylium, and 4-iodoflavylium perchlorates with nucleophiles N,N-dimethylaniline and n-phenylenediamine are studied using cyclic voltammetry and spectroscopy. Nucleophilic substitution in these compounds proceeds via the formation of a charge-transfer complex, which converts into a radical ion pair as a result of the electron transfer. Heterolytic clevage of the C–Hal bond occurs at the stage of pyranyl (flavanyl) radical. 相似文献
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97.
Denis Prat Françoise Benedetti Lahlou Nait Bouda Gilles Franc Girard 《Tetrahedron letters》2004,45(4):765-768
An industrial synthesis of 11β-aryl-estrone derivatives is described, based on the 1,4-addition of the aryl side-chain, as a cuprate, on to a mixture of allylic 5(10) alpha and beta epoxides, followed by hydrolysis and subsequent aromatization. 相似文献
98.
Regioselective allylation reactions using crotyl Grignard reagent-CeCl3 systems are described. Regioselectivity depends on the lanthanide salts: α-product was predominantly produced with light rare earth elements such as La, Ce, Pr, Nd, whereas γ-product was formed when heavy rare earth elements were used. 相似文献
99.
Using the full-potential linearized augmented plane wave (FP-LAPW) method, we have studied the effect of chemistry on the average intercalation voltage (AIV) caused by the Na ions intercalating into transition metal oxides. The effect of transition metal was systematically studied by varying M=Co, Ni and Mn in NaMO2 and fixing the α-NaFeO2 layered structure. The effect of the guest atoms into the host material is discussed in terms of the structural and electronic properties. Comparatively to Li intercalation, a significant electron transfer towards transition metal was found. This observation suggests that the transition metal contribute to the AIV determination and confirms the common assumption that intercalated electron reduces M4+ to M3+. 相似文献
100.
Valérie Michaut Jean-Marc Paris Jean-Christophe Plaquevent 《Journal of fluorine chemistry》2007,128(8):889-895
Herein are studied new transformations of ethyl-4,4,4-trifluoroacetoacetate (ETFAA), giving access to a series of enantiopure chirons bearing both a trifluoromethyl group and an amino moiety. The key intermediate is obtained optically pure by a resolution procedure. 相似文献