On the Efficiency of Nonchain Electric-Discharge HF (DF) Lasers

Russian Physics Journal -     

Some Aspects of the Implementation of Scaling Quantum Mechanical Molecular Force Fields

Some features of software implementation of the Pulay scaling procedure are considered. The advantages of the single value decomposition method for maintaining well-conditionality of the scale factor determination problem are demonstrated. The necessity of using a rational number of scale factors is shown. The possibility of obtaining transferable scale factors with the Pulay method and thus predict the vibrational spectra of related compounds is emphasized.     

Deviation inequality for monotonic Boolean functions with application to the number of k‐cycles in a random graph

Using Talagrand's concentration inequality on the discrete cube {0, 1}^m we show that given a real‐valued function Z(x) on {0, 1}^m that satisfies certain monotonicity conditions one can control the deviations of Z(x) above its median by a local Lipschitz norm of Z at the point x. As one application, we obtain a deviation inequality for the number of k‐cycles in a random graph. © 2003 Wiley Periodicals, Inc. Random Struct. Alg., 2004     

Effective nonchain HF laser excited by a self-sustained discharge

Lasing and discharge in mixtures of SF₆ with hydrogen and hydrocarbons are investigated. If the chemical reaction is initiated by a self-sustained discharge (a generator with both an inductive and capacitive energy storage can be used), the maximum lasing efficiency is attained at high values of the ratio E/p (where E is the electric field intensity and p is the pressure in the mixture) if shaped electrodes and preionization of the discharge gap are employed. For the first time, the lasing efficiency obtained in a nonchain HF laser is as high as 10% of the energy deposit and 4.5% of the stored energy for a specific radiation energy of ≈140 J/(l atm). At high efficiencies, the emission spectrum of the nonchain HF laser significantly broadens and cascade lasing at P(3-2) → P(2-1) → P(1-0) vibrational transitions for several rotational lines is realized.     

High-power excimer laser systems

Two-high power excimer laser systems with square (25 × 25 cm) and circular (with a diameter of 40 cm) cross sections of the output laser beam are described. The first (second) system consists of four (five) excimer lasers. The experimental results on the generation of the high-quality high-power laser pulses are presented. Laser beams with a pulse duration of 1–250 ns, a divergence of 0.01 mrad, a spectral line width of 0.01 cm⁻¹, and a pulse energy of up to 330 J are obtained. Original Text ? Astro, Ltd., 2006.     

Theoretical analysis of structure and energetics of intermediates in catalytic reactions of alkanesulfonylation

Combined methods of quantum chemistry and molecular mechanics have been used to investigate the structure and energetics of formation of sulfene, and also N-methanesulfonylpyridinium and oxypyridinium halides, which are intermediates in catalytic alkanesulfonylation reactions. The potential energy surface of ion-ion interactions of N-methanesulfonylpyridinium halides has been analyzed. The results have been applied in identifying kinetically indistinguishable mechanisms of general basic and nucleophilic catalysis in processes of alkanesulfonylation of phenols.Institute of Physical Organic Chemistry and Coal Tar Chemistry, Academy of Sciences of the Ukrainian SSR, Donetsk. Donetsk University. Translated from Teoreticheskaya i Eksperimental'naya Khimiya, Vol. 27, No. 2, pp. 159–165, March–April, 1991. Original article submitted November 9, 1989.     

Sorption of Industrial Oil by Expanded Graphite

Sorption of industrial oil by expanded graphite prepared from residual graphite hydrosylfate at 300-900°C was studied. The sorption isotherms of both neat oil and oil from its aqueous suspension were measured. The sorption capacity for oil was studied as influenced by the specific surface area and specific volume of expanded graphite sorbent.     

An ab initio structural and vibrational analysis of gauche,trans,trans- and gauche,cis,trans-hexa-1,3,5-trienes

The results of complete geometry optimizations of the high energy stable gauche,Trans,trans- and gauche,Cis,trans- rotamers of hexa-1,3,5-trienes are reported at the RHF/6-31G//RHF/B-31G level. The angles of rotation around one of the single C-C bonds are found to be 33.7° and 45.5°, respectively. The corresponding harmonic force fields of these molecules are also reported at this level and corrected using scale factors transferred from buta 1,3-diene. Aspecial scale factor was used for the central C=C double bond stretching coordinate to take into account vibronic coupling. The theoretical vibrational frequencies, calculated with the scaled quantum mechanical (SQM) force fields, allow a complete interpretation of the experimental vibrational spectra of these molecules.Preliminary results were reported at the Austin XII Symposium on Molecular Structure, Austin, TX, February 28 through March 3, 1988, S 18, p. 111 (USA) and at the XIXth European Congress on Molecular Spectroscopy, Dresden, September 4 through September 8, 1989, p. 226 (GDR).