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71.
Daoxing Xia 《Proceedings of the American Mathematical Society》1996,124(6):1743-1753
The generalized cyclic cohomology is introduced which is associated with -deformed commutators . Some formulas related to the trace of the product of -deformed commutators are established. The Chern character of odd dimension associated with -deformed commutators is studied.
72.
Using the Chern classes defined by Grothendieck, we map aK-theoretic invariant of invertible symmetric matrices defined by Giffen to the Clifford invariant.According to Herrmann Graßman'sWörterbuch zum Rig-veda, Ketu may not be connected with K2 but es bezeichnet das, was sich sichtbar oder kenntlich macht ... 相似文献
73.
Ionic mobility data for multicomponent electrolyte systems at low concentrations are scarce due to experimental difficulties and are actually restricted to aqueous solutions of alkali chlorides. Some new results are presented which have been obtained by using a radiotracer method valid even if one of the ionic species is present at very low concentrations (tracer ion). The following electrolyte systems (two electrolytes with a common ion in a solvent) have been investigated at a 0.5N total ionic strength: NaNO3–AgNO3, KNO3–AgNO3, LiNO3–AgNO3 either in pure water or in water-rich (acetonitrile or dimethylsulfoxide) mixed solvents. Since ionic conductivity data processing by an extended law generalized to mixtures, such as that proposed by Quint and Viallard, has proved to be delicate to handle, our experimental results have been compared with the qualitative predictions of the classical Onsager-Fuoss limiting law. The main conclusion of this work is to give clear experimental evidence of the inability of any continuum theory to predict the ionic mobilities when solvent structural effect have to be taken into account. Consequently, the ionic behavior, particularly that of the Ag+ ion, has been interpreted in terms of preferential solvation and solvent microscopic structure. The trace mobility measurements reflect the maximum structural effect on the ionic transport properties. 相似文献
74.
L. A. Dunyushkina A. V. Kuz’min V. B. Balakireva V. P. Gorelov 《Russian Journal of Electrochemistry》2006,42(4):375-380
Transport numbers for oxygen ions and protons are measured by an emf method in the system CaTi1?x FexO3?δ (x = 0.1–0.5) in the oxidizing and reducing atmospheres in the temperature interval 973–1173 K. It is shown that the compounds under study are mixed ion-electron conductors at small iron concentrations and electron conductors, at large iron contents. The proton conductivity in the compounds is very poor and does not exceed 0.5% in air. On the basis of the temperature dependences of transport numbers for ions and linear expansion, it is established that the CaTi0.9Fe0.1O3?δ system has a phase transition of a second order in a reducing environment at 1020–1050 K. The total and partial electron conductivities of CaTi0.9Fe0.1O3?δ are studied as a function of the partial pressure of oxygen at 1173 K. The nature of electroconduction in CaTi1?x FexO3?δ is discussed. 相似文献
75.
We implemented ab initio self‐consistent field (SCF) fractional occupation numbers (FON) calculation with Dunlap's interpolation scheme for the twisted ethylene, which is a prototype molecule of a σ–π biradical system. The calculational results are compared with those of complete‐active‐space (CAS) SCF and spin‐unrestricted Kohn–Sham (UKS) calculations on potential surfaces, occupation numbers of natural orbitals, and correlation entropies. It was found that the UKS methods gave similar results to CASSCF, while the FON solutions appeared in only the nearly complete degenerate region. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 93: 317–323, 2003 相似文献
76.
By the use of complete orthonormal sets of -exponential-type orbitals, where ( = 1, 0, –1, –2,...) the multicenter electronic attraction (EA), electric field (EF) and electric field gradient (EFG) integrals of nonscreened and Yukawa-like screened Coulomb potentials are expressed through the two-center overlap integrals with the same screening constants and the auxiliary functions
introduced in our previous paper (I.I. Guseinov, J. Phys. B, 3 (1970) 1399). The recurrence relations for auxiliary functions are useful for the calculation of multicenter EA, EF and EFG integrals for arbitrary integer and noninteger values of principal quantum numbers, screening constants, and location of slater-type orbitals. The convergence of the series is tested by calculating concrete cases. 相似文献
77.
A.?Ya.?NeimanEmail author N.?N.?Pestereva A.?R.?Sharafutdinov Yu.?P.?Kostikov 《Russian Journal of Electrochemistry》2005,41(6):598-611
The conduction and transport numbers of charge carriers for composites in the systems MeWO4-WO3 (Me = Ca, Sr, Ba) are studied as a function of the temperature and the activity of oxygen in a gas phase. The transport numbers are determined by an emf method and are estimated from dependences of conductance on the activity of oxygen in a gas phase. The deficiencies of the given procedure as applied to investigation of properties of composite phases are analyzed. The materials under study are classified with a class of metacomposites. The concentration intervals of the ionic, mixed, and electronic conductions are determined. The conduction of composites of compositions (100 − x)MeWO4 ⋅ xWO3 is predominantly ionic at x ≤ 10 (Me = Ca), x ≤ 60 (Me = Sr), and x ≤ 45 (Me = Ba). The obtained data are explained in the framework of a model that represents a composite as a distributed matrix system where a film of surface phase MeW-s with a high mobility of oxygen ions plays the role of a connected matrix. It is presumed that the surface phase MeW-s possesses double-sided surface activity (α MeW-s ≤
) and a higher mobility with respect to MeWO4 and WO3. The discovered anomalies of dependences
(T) and partial dependences
, σel(T) are explained by a change in the stoichiometry, morphology, and the degree of connectedness of surface phase MeW-s caused by with a change in the temperature and composition of composites.__________Translated from Elektrokhimiya, Vol. 41, No. 6, 2005, pp. 680–693.Original Russian Text Copyright © 2005 by Neiman, Pestereva, Sharafutdinov, Kostikov.Published on the basis of a report delivered at the VII Meeting on Fundamental Problems in Solid-State Ionics (Chernogolovka-2004). 相似文献
78.
The effect of the addition of n-butanol (BuOH) and n-hexanol (HexOH) on the micellization of sodium dodecylsulfate (SDS) has been investigated using fluorescence quenching methods.
The binding constants were calculated using an expression which relates the total concentration of alcohols and the micelle
concentration. The values of K were 4.67 and 17.6 M-1 for BuOH/SDS and HexOH/SDS, similar to values obtained by other methods. The cmc of SDS decreases on addition of alcohols
and goes through a minimum for the BuOH/SDS system. Micellar aggregation numbers (N) were determined from linear plots of Ln (I
0/I) against [Quencher] at low alcohol concentrations. For 15 mM SDS, in the presence of BuOH the N values decrease on addition of alcohol up to 0.2 M. For HexOH, N can be assumed to be constant up to 4.8 mM, after which N decreases. The polarity of the micellar core containing alcohol was evaluated from the I
1/I
3 ratio of monomeric pyrene. The effect of addition of the alcohol causes a decrease in the I
1/I
3, which corresponds to a decrease in the polarity of the pyrene solubilization site.
Received: 28 October 1996 Accepted: 10 January 1997 相似文献
79.
Antonio Fernández-Ramos Benjamin A. Ellingson Rubén Meana-Pañeda Jorge M. C. Marques Donald G. Truhlar 《Theoretical chemistry accounts》2007,118(4):813-826
This article shows how to evaluate rotational symmetry numbers for different molecular configurations and how to apply them
to transition state theory. In general, the symmetry number is given by the ratio of the reactant and transition state rotational
symmetry numbers. However, special care is advised in the evaluation of symmetry numbers in the following situations: (i)
if the reaction is symmetric, (ii) if reactants and/or transition states are chiral, (iii) if the reaction has multiple conformers
for reactants and/or transition states and, (iv) if there is an internal rotation of part of the molecular system. All these
four situations are treated systematically and analyzed in detail in the present article. We also include a large number of
examples to clarify some complicated situations, and in the last section we discuss an example involving an achiral diasteroisomer. 相似文献
80.
Dip Singh Gill 《Journal of solution chemistry》1979,8(10):691-699
Precise conductances for tetrabutylammonium tetrabutylboride (Bu4NBBu4) at 25°C have been measured in a number of nonaqueous solvents, and the data have been analyzed by the 1957 Fuoss-Onsager conductance equation. Limiting ion conductances for the Bu4N+ ion at infinite dilution 0(Bu
4
N
+) in various solvents have been evaluated by dividing 0 values of the salt into two equal parts. The 0(Bu
4
N
+) values so obtained are in fairly good agreement (within±0.1–3.5%) with the corresponding values determined from direct transference number measurements in these solvents. 相似文献