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931.
932.
LauraN. Gregerson TrevorC. McMorris JayS. Siegel KimK. Baldridge 《Helvetica chimica acta》2003,86(12):4133-4151
(Hydroxymethyl)acylfulvene (HMAF, irofulven; 4 ), a third‐generation derivative of a natural product extracted from the mushroom Omphalotus illudens, is selectively toxic towards certain forms of malignant tumors. Conversion of HMAF and cognates to stable aromatic derivatives is triggered by thiol attack in vitro and in vivo. Quantum‐chemical methods predict well the structure for several functionalized derivatives of irofulven as compared to known X‐ray crystallographic structures. Computational reaction profiles for thiol attack and aromatic rearrangement of irofulven and illudin S, a toxin from which irofulven is derived, provide insight into HMAF's selectivity and toxicity. Methods used include hybrid density‐functional theory (HDFT), Hartree? Fock (HF), and Møller? Plesset second‐order perturbation theory (MP2). Solvent effects have been explored by means of the new continuum‐solvation method, COSab, presented in an accompanying paper. 相似文献
933.
934.
We study computable trees with distinguished initial subtree (briefly, I-trees). It is proved that all I-trees of infinite height are computably categorical, and moreover, they all have effectively infinite computable dimension. 相似文献
935.
Bakirova I. N. Shagidullin R. R. Avvakumova L. V. Demchenko I. G. Zenitova L. A. 《Russian Journal of Applied Chemistry》2003,76(3):468-471
The activity of a polyether derived from ethylene and propylene oxides (Laprol 5003) and of N,N,N',N'-tetra(hydroxypropyl)ethylenediamine (Lapramol 294) in glycolytic degradation of elastic foamed polyurethane was studied. 相似文献
936.
S. N. Dorogovtsev A. V. Goltsev J. F. F. Mendes 《The European Physical Journal B - Condensed Matter and Complex Systems》2004,38(2):177-182
We consider the general p-state Potts model on random networks with a given degree distribution (random Bethe lattices). We find the effect of the suppression of a first order phase transition in this model when the degree distribution of the network is fat-tailed, that is, in more precise terms, when the second moment of the distribution diverges. In this situation the transition is continuous and of infinite order, and size effect is anomalously strong. In particular, in the case of p = 1, we arrive at the exact solution, which coincides with the known solution of the percolation problem on these networks.Received: 3 December 2003, Published online: 17 February 2004PACS:
05.10.-a Computational methods in statistical physics and nonlinear dynamics - 05.40.-a Fluctuation phenomena, random processes, noise, and Brownian motion - 05.50. + q Lattice theory and statistics (Ising, Potts, etc.) - 87.18.Sn Neural networks 相似文献
937.
938.
Ioannis N. Lykakis 《Tetrahedron letters》2004,45(41):7645-7649
Decatungstate photocatalyzes the oxidation of aryl alkanes to the corresponding tertiary hydroperoxides and alcohols, in the presence of molecular oxygen. The addition of triethylsilane to the reaction mixture substantially increases the proportion of hydroperoxide formed. 相似文献
939.
E. N. Dancer 《Journal of Fixed Point Theory and Applications》2007,1(1):47-60
We discuss the calculation of homotopy indices on closed convex sets in a Banach space and then use these ideas to prove the
existence of multiple solutions of nonlinear elliptic equations. We obtain more information on the solutions than in earlier
work. A key idea is to calculate the homotopy index of the stable and mountain pass solutions and the connections joining
them.
Dedicated to the memory of Jean Leray 相似文献
940.
S. A. Klimin M. N. Popova E. P. Chukalina B. Z. Malkin A. R. Zakirov E. Antic-Fidancev Ph. Goldner P. Aschehoug G. Dhalenne 《Physics of the Solid State》2005,47(8):1425-1430
The absorption spectra of Yb2Ti2O7 single crystals and the luminescence and luminescence excitation spectra of Y2Ti2O7: Yb (1%) polycrystals were studied in the temperature range 4.2–300 K. The spectra were analyzed in terms of the crystal-field
theory and the exchange-charge model. Based on the set of crystal-field parameters found for Yb2Ti2O7, analogous sets of parameters were determined for other rare-earth titanates and proved to be in reasonable agreement with
all available experimental data.
__________
Translated from Fizika Tverdogo Tela, Vol. 47, No. 8, 2005, pp. 1376–1380.
Original Russian Text Copyright ? 2005 by Klimin, Popova, Chukalina, Malkin, Zakirov, Antic-Fidancev, Goldner, Aschehoug,
Dhalenne. 相似文献