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21.
Dmitry Yu. Murzin 《Reaction Kinetics and Catalysis Letters》2007,90(2):225-232
Reaction route analysis is applied to visualize reaction networks in several heterogeneous catalytic reactions. Combination
of the theory of complex reactions with the notion of catalytic cycles results in a topological representation of complex
mechanisms with the nodes comprising all possible surface species including free sites and branches indicating interconnections
between reactions. 相似文献
22.
Nonlinear processes caused by the propagation of low-frequency and high-frequency acoustic pulses in an unbounded medium and the propagation of continuous waves in a ring resonator are theoretically studied on the basis of two hysteretic equations of state for media with imperfect elasticity. The profiles and parameters of pulses, the resonance curve and the Q factor of the resonator, and the ratio of the nonlinear resonance frequency shift to the nonlinear damping decrement are determined. For nonlinear wave processes in such media, the distinctive features that allow one to choose an appropriate hysteretic equation of state for analytically describing the experimental data are revealed. 相似文献
23.
In this paper we give the answer to the Gromov's question about the macroscopic dimension of universal coverings of closed manifolds in dimension 3. We prove that the macroscopic dimension of a universal covering of a closed Riemannian 3-manifold cannot be equal to 2. 相似文献
24.
Dmitry V. Moiseev Vera A. Morugova Andrey S. Shavirin Victor A. Dodonov 《Journal of organometallic chemistry》2004,689(4):731-737
Tetraphenylantimony(V) carboxylates have been used in the palladium-catalyzed C-phenylation reaction of methyl acrylate in the presence of (PhCO2)2 or t-BuOOH under mild conditions (50 °C). The peroxides promote a cascade participation of the organoantimony compound and result in the transfer of three phenyl groups. Organoantimony intermediates have been isolated from the reaction. 相似文献
25.
Bourget Alain Jakobson Dmitry Min-Oo Maung Toth John A. 《Letters in Mathematical Physics》2003,64(2):105-118
We determine the limiting density of the zeroes of Heine–Stieltjes polynomials (or of any set of points satisfying the conclusion of Heine–Stieltjes Theorem) in the thermodynamic limit and use this to prove a strong law of large numbers for the zeroes. 相似文献
26.
27.
Mironov YV Yarovoi SS Naumov DY Kozlova SG Ikorsky VN Kremer RK Simon A Fedorov VE 《The journal of physical chemistry. B》2005,109(50):23804-23807
The novel vanadium thiobromide, V4S9Br4, with a square-planar metal cluster core was synthesized and characterized by single-crystal X-ray diffraction, measurements of magnetic properties and the heat capacity, and DFT calculations of the electronic structure. At the room temperature, the compound displays paramagnetic properties with an independent spin on each V atom and with a weak exchange constant (J approximately 10 cm(-1)). The paramagnetic state is transformed into a low-spin state (AF-type ordering) at low temperatures. This change is accompanied by a heat-capacity anomaly. The observed magnetic and heat-capacity anomalies can be explained by the thermal excitation of electrons on the closely spaced molecular energy levels in the presence of the Jahn-Teller effect. 相似文献
28.
Timofei S. Zatsepin Dmitry A. Stetsenko Tatiana S. Oretskaya 《Tetrahedron letters》2004,45(39):7327-7330
Oligodeoxyribonucleotides were synthesized that contain a novel nucleoside, 2′-O-(2-oxoethyl)arabinouridine. Whereas such oligonucleotides showed only a slight reduction in the TM values of their complexes with complementary DNA, a significant destabilization was observed in the case of duplexes formed with RNA. This may be explained by the C2′-endo conformation of 2′-O-(2,3-dihydroxypropyl)arabinouridine as demonstrated by NMR experiments in D2O. The modified oligonucleotides were used to synthesize a number of conjugates with dyes, biotin and a N-modified laminin peptide, by hydrazone and oxime formation. We suggest that the 2′-arabinoaldehyde-containing DNA duplexes may be valuable tools for affinity modification of DNA-binding proteins. 相似文献
29.
Zubarev DY Boldyrev AI Li X Cui LF Wang LS 《The journal of physical chemistry. A》2005,109(50):11385-11394
Photoelectron spectroscopy and ab initio calculations are used to investigate the electronic structure and chemical bonding of Si5(-) and Si5(2-) in NaSi5(-). Photoelectron spectra of Si5(-) and NaSi5(-) are obtained at several photon energies and are compared with theoretical calculations at four different levels of theory, TD-B3LYP, R(U)OVGF, UCCSD(T), and EOM-CCSD(T), all with 6-311+G(2df) basis sets. Excellent agreement is observed between experiment and theory, confirming the obtained ground-state structures for Si5(-) and Si5(2-), which are both found to be trigonal bipyramid with D3h symmetry at several levels of theory. Chemical bonding in Si5, Si5(-), and Si5(2-) is analyzed using NPA, molecular orbitals, ELF, and NICS indices. The bonding in Si5(2-) is compared with that in the isoelectronic and isostructural B5H5(2-) species, but they are found to differ due to the involvement of electron densities, which are supposed to be lone pairs in the skeletal bonding in Si5(2-). 相似文献
30.
Volodkin DV Petrov AI Prevot M Sukhorukov GB 《Langmuir : the ACS journal of surfaces and colloids》2004,20(8):3398-3406
A new approach to fabricate polyelectrolyte microcapsules is based on exploiting porous inorganic microparticles of calcium carbonate. Porous CaCO3 microparticles (4.5-5.0 microns) were synthesized and characterized by scanning electron microscopy and the Brunauer-Emmett-Teller method of nitrogen adsorption/desorption to get a surface area of 8.8 m2/g and an average pore size of 35 nm. These particles were used as templates for polyelectrolyte layer-by-layer assembly of two oppositely charged polyelectrolytes, poly(styrene sulfonate) and poly(allylamine hydrochloride). Calcium carbonate core dissolution resulted in formation ofpolyelectrolyte microcapsules with an internal matrix consisting of a polyelectrolyte complex. Microcapsules with an internal matrix were analyzed by confocal Raman spectroscopy, scanning electron microscopy, force microscopy, and confocal laser-scanning fluorescence microscopy. The structure was found to be dependent on a number of polyelectrolyte adsorption treatments. Capsules have a very high loading capacity for macromolecules, which can be incorporated into the capsules by capturing them from the surrounding medium into the capsules. In this paper, we investigated the loading by dextran and bovine serum albumin as macromolecules. The amount of entrapped macromolecules was determined by two independent methods and found to be up to 15 pg per microcapsule. 相似文献