The Intra-cavity Mode Competition and Laser Absorption Spectroscopy with CO2 Laser

A mathematical model is developed for analysis the dynamics of an intra-cavity laser spectroscopy and mode competition using the CO₂ laser as the coherent source. The governing equations of system are derived and effect of the absorbing material on the laser modes, as a time-dependent term is considered. Thus, the application of the CO₂ laser for intra-cavity laser spectroscopy with considering an inhomogeneous medium and effect of the absorbing material is investigated.     

Some properties of autocentral automorphisms of a group

Let G be a group, Aut(G) and L(G) denote the full automorphisms group and absolute centre of G, respectively. The automorphism \({\alpha\in Aut(G)}\) is called autocentral if \({g^{-1}\alpha(g)\in L(G)}\), for all \({g\in G}\). In the present paper, we investigate the properties of such automorphisms.     

Some Properties of Isologism of Groups and Baer-Invariants

Let be a variety of groups defined by the set of laws V. In this paper we study the concept of -isologism of groups in terms of -extensions and their connections with the Baer-invariant of groups are also discussed.AMS Subject Classification (2000): primary 20F14, 20F19, secondary 20E10     

Some Properties of Certain Subgroups of Tensor Squares of p-Groups

Let G be a finite p-group of order p ⁿ and ?(G) be the subgroup of the tensor square of G generated by all symbols x ? x, for all x in G. In the present article, we construct an upper bound for the order of ?(G) and any extra special p-group. It is also shown that ?(G) ? ?(G/G′). Using our result, we obtain the explicit structure of the tensor square of G and π₃ SK(G, 1). Finally, the structure of G will be characterized when the bound is attained.     

New ultrahigh affinity host-guest complexes of cucurbit[7]uril with bicyclo[2.2.2]octane and adamantane guests: thermodynamic analysis and evaluation of M2 affinity calculations

A dicationic ferrocene derivative has previously been shown to bind cucurbit[7]uril (CB[7]) in water with ultrahigh affinity (ΔG(o) = -21 kcal/mol). Here, we describe new compounds that bind aqueous CB[7] equally well, validating our prior suggestion that they, too, would be ultrahigh affinity CB[7] guests. The present guests, which are based upon either a bicyclo[2.2.2]octane or adamantane core, have no metal atoms, so these results also confirm that the remarkably high affinities of the ferrocene-based guest need not be attributed to metal-specific interactions. Because we used the M2 method to compute the affinities of several of the new host-guest systems prior to synthesizing them, the present results also provide for the first blinded evaluation of this computational method. The blinded calculations agree reasonably well with experiment and successfully reproduce the observation that the new adamantane-based guests achieve extremely high affinities, despite the fact that they position a cationic substituent at only one electronegative portal of the CB[7] host. However, there are also significant deviations from experiment, and these lead to the correction of a procedural error and an instructive evaluation of the sensitivity of the calculations to physically reasonable variations in molecular energy parameters. The new experimental and computational results presented here bear on the physical mechanisms of molecular recognition, the accuracy of the M2 method, and the usefulness of host-guest systems as test-beds for computational methods.     

OPTIMIZATION OF OXIDE-BASED ACTIVATING FLUX COMBINATION FORMULA IN ACTIVATED TUNGSTEN INERT GAS WELDING USING A HYBRID METHOD INCLUDING ARTIFICIAL NEURAL NETWORKS AND PARTICLE SWARM OPTIMIZATION

Journal of Applied Mechanics and Technical Physics - The effects of the most important process-adjusting variables (welding current and welding speed) and the percentage of the combination of...     

Conformational analysis,tautomeric preference,intramolecular hydrogen bonding,and solvent effect on dinitrosamine: A quantum chemical study

HF, B3LYP, and MP2 methods with the standard basis set, 6‐311++G(d,p), were used to study various aspects of dinitrosamine. These results were compared with the outcomes of G2 and CBS‐QB3 methods. First, the conformational analysis and characterization of equilibrium conformations, especially global minima, were performed. On the basis of relative energies, we found that the dinitroso tautomers are more stable than the nitroso‐hydroxy (NH) ones. This preference is well‐interpreted in terms of tautomerization process and nitrosamine resonance. Furthermore, the nature of O? H···O intramolecular hydrogen bond (IMHB), in chelated forms of NH (NH‐11 and NH‐13) was comprehensively studied to evaluate the effect of hetero atoms (N) on the characteristic of IMHB systems. According to the results of isodesmic reaction method, the hydrogen bond energy of NH‐11 is greater than the malonaldehyde (MA) and NH‐13, whereas the electron density analysis and energy‐geometry correlation methods clearly predict that the hydrogen bond of NH‐11 is weaker than the MA. Additionally, the geometrical, atoms in molecules (AIM) and natural bond orbital's (NBO) parameters also emphasize on the MA as a chelated form with the strongest hydrogen bond. Finally, the solvent effects on the relative stability of selected dinitrosamine conformers are evaluated by different continuum (polarizable‐continuum model, isodensity polarizable continuum model, and self‐consistent isodensity polarizable continuum model), discrete and mixed solvent models. Theoretical results readily show that the potential energy surface of dinitrosamine, especially global minima, is strongly affected by the solvent. © 2012 Wiley Periodicals, Inc.     

Immobilization of nickel ions onto the magnetic nanocomposite based on cross‐linked melamine groups: Effective heterogeneous catalyst for N‐Arylation of Arylboronic acids

A new magnetic heterogeneous catalyst was synthesized by immobilization of nickel ions onto a cross‐linked polymeric nanocomposite composed of cyanuric chloride, ethylenediamine and functionalized magnetic nanoparticles. The resulting nitrogen rich support was capable of adsorbing large amounts of nickel ions (1.20 mmol g^?1). The synthesized catalyst was characterized using AAS, TEM, FT‐IR, EDX, TGA, SEM, BET and XRD techniques. The performance of the prepared catalyst was investigated in the C‐N coupling of arylamines with aryl boronic acids. The reaction was carried out under a mild condition and good to moderate to good yields of products was obtained using only 5.0 mol% of the catalyst. The catalyst was easily recovered and reused for at least 7 times without any significant loss of its activity.