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91.
92.
Boguslaw Zegarliński 《Journal of statistical physics》1986,43(3-4):687-705
We give a condition on a Gibbs measure for an attractive Markov specification, which assures extremality and the global Markov property. As an example of application we consider the class of attractive Markov specifications defined on a compact configuration space over a two-dimensional lattice by the interaction Hamiltonians (assumed to have a finite set of periodic ground configurations) satisfying Peierl's condition. We prove that each extremal Gibbs measure for such a specification, at sufficiently low temperature, has the global Markov property.On leave of absence from the Institute of Theoretical Physics, University of Wrocaw, Poland. 相似文献
93.
Andrzej Barszczewicz Michal Jaszuński Krystyna Kamieńska-Trela Trygve Helgaker Poul Jørgensen Olav Vahtras 《Theoretical chemistry accounts》1993,87(1-2):19-28
Summary
Ab initio calculations of parameters which characterize the NMR spectrum are presented for the cyclopropene molecule. The London orbitals CHF (or GIAO-CHF, Gauge-Independent Atomic Orbital Coupled Hartree-Fock) results for the shielding constants are in good agreement with the experimental data, accurately determined, and with otherab initio values. The calculations of the NMR spin-spin coupling constants have been performed using the Multiconfiguration Time-Dependent Hartree-Fock (MC TDHF) approach. Different basis sets and MC SCF wavefunctions were used to estimate the accuracy of the results. Good agreement is obtained with the coupling constants estimated using the available experimental data.Dedicated to Professor Werner Kutzelnigg on the occasion of his 60th birthday 相似文献
94.
The mechanism of degradation of 9-acetoxy-10-arylanthracenes to anthraquinose with the use of HNO3 in AcOH has been reported. This was proved by way of example on 9-acetoxy-10-(4′-acetoxyphenyl )anthracene (1) by means of separation and identification of intermediate products , and . 相似文献
95.
Dobrochna Matkowska Maciej Gola Marcin ?nie?ek Piotr Cmoch Krzysztof Staliński 《Journal of organometallic chemistry》2007,692(10):2036-2045
A series of triorganotin hydrides and diorganotin dihydrides containing the optically active 2-(4-isopropyl-2-oxazolinyl)-5-phenyl ligand have been characterized by means of the multinuclear low-temperature NMR investigations, the results of which are discussed. In the corresponding organotin hydrides values of the 1J(1H-117/119Sn) couplings appeared to be temperature dependent, supporting an axial/equatorial position of the hydrogen attached to the tin. 相似文献
96.
Speed of sound and density of 1-propanol + heavy water were measured in the whole concentration range at temperatures from 293 to 313 K. Isentropic compressibility was calculated from the Laplace formula. The partial molar volume of 1-propanol reaches a minimum at the mole fraction of 1-propanol x
1 0.03. At the same concentration, the compressibility isotherms intersect one another. These features of the investigated system are similar to those of 1-propanol + H2O, that points to essential similarity of the two mixtures. A clathrate-like structure was suggested to explain the experimental results for dilute solutions of the alcohol. Somewhat more pronounced hydrophobic hydration in D2O than in H2O is manifested by an effect similar to that resulting from the elongation of the alcohol molecule. 相似文献
97.
Z. Rzączyńska A. Ostasz M. Sikorska-Iwan H. Głuchowska E. Olszewska S. Pikus 《Journal of Thermal Analysis and Calorimetry》2006,84(3):575-579
The complexes
of yttrium(III) and lanthanides(III) with 1,2,4,5-benzenetetracarboxylic acid
were prepared as crystalline solids of the general formula Ln4(C10H2O8)3⋅14H2O. They
are insoluble in water. On heating in air or inert gas atmosphere all compounds
lose water molecules; next anhydrous compounds decompose to oxides. The yttrium
complex and heavy lanthanide (from Ho to Lu) ones crystallize in monoclinic
crystal system. The dehydration does not change the crystal structure of the
compounds. 相似文献
98.
Bimetallic ruthenium-tin catalysts were prepared using the sol-gel method and the method of carrier impregnation. Two different
procedures were used for their reduction — reduction in hydrogen atmosphere under an increased temperature, and reduction
using an aqueous solution of sodium borohydride. Hydrogenation of 3-phenylpropenal (cinnamaldehyde) in tetrahydrofuran at
433 K and the total pressure 7 MPa was used as the model reaction for comparing the catalytic properties of the prepared catalysts.
It was demonstrated that a tin addition notably affected catalytic properties of ruthenium in the sense of a selectivity increment
related to the production of an unsaturated alcohol. 相似文献
99.
Grażyna Janowska Teresa Mikołajczyk Dorota Wołowska-Czapnik M. Boguń 《Journal of Thermal Analysis and Calorimetry》2005,82(1):129-135
The paper discusses the thermal properties of alginate fibres made from alginic acid or sodium alginate and from alginates
substituted with divalent metal ions during the fibre-forming stage. Alginate fibres with an addition of silica nanoparticles
have also been examined. The selection of fibre-forming parameters was intended to obtain the best either sorption or strength
properties depending on the specific fibre application. Thermal curves of the fibres under investigations obtained by under
air atmosphere and differential scanning calorimetry (DSC) under neutral gas atmosphere have been interpreted from the view
of physical and chemical changes in the fibre-forming material. Based on thermogravimetric curves, the fibre thermal stability
indices have been determined. It has been found that the addition of silica nanoparticles exerts a positive influence on the
thermal properties of the examined fibres. 相似文献
100.
Marek Szymo
ski Jacek Ko
odziej Zbigniew Postawa Pawel Czuba Piotr. Piatkowski 《Progress in Surface Science》1995,48(1-4):83-96
Inelastic interactions of electrons with surfaces of ionic crystals result in emission of various particles such as ions, atoms and molecules. We will review such electron-stimulated desorption processes for the particular class of ionic crystals, namely for alkali halides. In this case, a dominant fraction of the emission is in the form of halogen and alkali atoms characterized by a thermal (Maxwellian) spectrum of translational energies. For several alkali halides (potassium and rubidium chlorides, bromides, and iodides), however, a significant part of the halogen atoms is ejected with nonthermal energies, i.e. energies of the order of 0.1 eV. The results of recent systematic studies of angular-resolved kinetic energy distributions of the emitted particles will be reported and current views on the electronic mechanisms of desorption will be described. In particular, it will be shown that the ESD mechanism can be understood in terms of the model involving a surface localisation of the so called “hot-holes” created by electron bombardment of alkali halides. A role of hot holes in ESD processes will further be discussed in relation to very recent experimental results obtained for the KBr crystals doped with In impurities which act as efficient hole traps. 相似文献