Modification of the Structure of Ti–Al–Si–Cu–N Gradient Coatings by Mechanical Tests

Technical Physics - The structural state in the zones of indentation and scratch testing of Ti–Al–Si–Cu–N gradient coatings has been studied using dark-field electron...     

Luminescence Quantum Yield and Recombination Constants in Colloidal Core/Shell Ag2S/ZnS and Ag2S/SiO2 Quantum Dots

Optics and Spectroscopy - The luminescence properties of colloidal Ag2S quantum dots (QDs) with ZnS or SiO2 shells coated with thioglycolic or 2-mercaptopropionic acids are comparatively analyzed....     

Ab initio quantum-chemical calculations of interactions of ions and hydrides of alkali metals with C3H6 and C4H8 molecules

Calculations of the C₃H₆ · LiH, C₄H₈ · M⁺, and C₄H₈ · MH systems and of C₂H₂ · MH complexes (M = Li or Na) were carried out by the unrestricted Hartree-Fock-Roothaan (UHF) method with partial optimization of the geometry using fixed geometric parameters of the C₃H₆ and C₄H₈ molecules. The standard 3-21G and 6-31G* basis sets were used. Unlike the C₃H₆ · LiH structure, the C₄H₈ · M⁺ and C₄H₈ · MH systems are typical complexes. It was found that the C₄H₈ · M⁺, C₄H₈ · MH, and C₂H₂ · MH complexes are similar in coordination of M⁺ ions and MH molecules by carbon atoms in spite of considerable differences in the interatomic distances (–1 A) between these atoms in the C₄H₈ and C₂H₂ molecules. The heats of formation (Q), which were calculated in the UHF/6-31G* approximation and using second- and fourth-order Möller-Plesset perturbation theory taking into account the electron correlation energy in the MP2/6-31G*. MP4(SDQ)/6-31G*, and MP4(SDTQ)/6-31G* approximations, satisfy the following relationships: Q(C₂H₃ · MH) < Q(C₄H₈ · MH) < Q(C₄H₈ · M⁺). It was observed that in going from Li to Na the corresponding values of Q tend to decrease.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya. No. 7, pp. 1636–1640, July, 1996.     

Reflection and absorption of HF radiation by a turbulent plasma

Reflection and absorption of a linearly polarized wave by a plasma with developed ion-acoustic turbulence is studied. The dependences of the absorption coefficient and Stokes parameters of the reflected elliptically polarized wave on the anisotropic effective frequency of electron collisions are established.     

Synthesis of actinomycin D analogs: XXIII. Actinocin derivatives containing azacrown fragments

A number of actinocin amides containing residues of aza-15-crown-5 and aza-18-crown-6 where crown fragments were separated from the heterocyclic chromophore by the residues of ω-amino acids were obtained as actinomycin D models.     

Fisher-Hartwig conjecture and the correlators in the inpenetrable Bose gas

We apply the theorems from the theory of Toeplitz determinants to calculate the asymptotics of various correlators including the exponential ones in the inpenetrable one-dimensional Bose gas system. The known correlators in the free-fermion system are also used to test the generalized Fisher-Hartwig conjecture.     

A review of furfural derivatives as promising octane boosters

Prospects for using furfural derivatives as octane boosters for gasoline are discussed on the basis of analysis of their physicochemical and operation properties. Knock resistance data, toxicity parameters, and results of motor bench tests are considered for furan compounds, furfural ethers, furfurylamine, and other furfural derivatives.     

Spin excitons — a new mechanism of superconducting pairing in copper oxides

The Fermi and Bose quasiparticle spectrum in copper oxides is studied in a many-band p-d model taking account of the strong electronic correlations. It is shown that hole-doped systems possess a Bose mode — a spin exciton — which is associated with the singlet-triplet excitation of the two-hole ground-state term of CuO₄ clusters. Intercluster hopping leads to fermion-boson interaction with a spin exciton as the intermediate boson. Such a mechanism does not exist for n-type systems. Pis'ma Zh. éksp. Teor. Fiz. 64, No. 1, 23–28 (10 July 1996)     

Electronic structure of high π-electron systems (graphite,polyacene, cumulene)

The electronic structure of graphite, polyacene and cumulene are calculated by a generalised Hartree-Fock method, where electrons with different spins occupy different molecular Orbitals.

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Zusammenfassung Die Elektronenstruktur von Graphit, Polyacen und Cumulen wurden mittels einer verallgemeinerten Hartree-Fock-Methode berechnet, wobei Elektronen mit verschiedenem Spin verschiedene Orbitale besetzen können.

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Résumé Les structures électroniques du graphite, du polyacène et du cumulène sont calculées par la méthode de Hartree-Fock généralisée, ou des électrons de spin différent occupent des orbitales moléculaires différentes.