Measurement of the transition dipole moment of the first hot band of the nu2 mode of the methyl radical by diode laser spectroscopy

The line strengths of five Q-branch lines of the first hot band of the out-of-plane bending vibration (2(1)(2)) of the methyl radical, CH 3, have been measured using infrared laser absorption spectroscopy. The spectra of the radical were measured in situ in a microwave discharge using ditertiary butyl peroxide, diluted in argon as the precursor. The line strengths were used to determine the transition dipole moment of the hot band. Absolute concentrations of the radical were required for this purpose, and these were determined kinetically from the measured decays of the spectral lines after the discharge was extinguished. The translational, rotational, and vibrational temperatures were also determined spectroscopically from measured integrated line intensities and line widths. The transition dipole moment of the first hot band was determined to be 0.31(6) D. This value is in satisfactory agreement with the value of 0.27(3) D from a high-precision ab initio calculation using the self-consistent electron pairs (SCEP) method reported by Botschwina, Flesch, and Meyer [Botschwina, P.; Flesch, J.; Meyer, W. Chem. Phys. 1983, 74, 321].     

On the convergence of the sequence of solutions for a family of eigenvalue problems

The asymptotic behavior of the sequence {u _n } of positive first eigenfunctions for a class of eigenvalue problems is studied in a bounded domain with smooth boundary ? Ω. We prove , where δ is the distance function to ? Ω. Our study complements some earlier results by Payne and Philippin, Bhattacharya, DiBenedetto, and Manfredi, and Kawohl obtained in relation with the “torsional creep problem .”     

Sufficient efficiency criteria in multiobjective fractional programming with generalized $$\left( \mathcal {F},b,\phi ,\rho ,\theta \right) $$-univex $$n$$n-set functions

We consider some types of generalized convexity and discuss new global semiparametric sufficient efficiency conditions for a multiobjective fractional programming problem involving \(n\)-set functions.     

Calorimetric measurements of diluted spin crossover complexes [FexM1−x(btr)2(NCS)2]·H2O with M = Zn and Ni

Motivated by the application of the First Order Reversal Curve (FORC) technique to obtain a distribution of like spin domains in the spin crossover complexes [Fe_xM_1−x(btr)₂(NCS)₂]·H₂O with M^II = Zn and Ni, we have performed Differential Scanning Calorimetry (DSC) experiments. We have measured the heat capacity in the heating and cooling modes and then calculated the enthalpy and the entropy variations at the phase transition. In the framework of an Ising-like model, we have converted the experimental thermal hysteresis into terms of physical parameters related to these compounds. We have also performed a statistical analysis of these parameters and concluded that the correlation between them increases with the dilution degree of these spin crossover complexes.     

Monte Carlo simulations for 1- and 2D spin crossover compounds using the atom–phonon coupling model

In this contribution we have simulated, using the Monte Carlo–Metropolis technique, the thermal behavior of an one dimensional and of a square lattice spin crossover system.In the one dimensional case, a long-range interaction parameter must be included in order to obtain a thermal hysteresis. For the square lattice we have tacked into account the nearest as well the next-nearest neighbors. We show the role of the elastic constant ratio on the hysteresis width.     

An Approximate Kinetic Treatment of Slow‐Initiated Living Polymerization. II. First‐Order Initiation and Half‐Order Propagation

An approximate analytical solution of the set of differential equations modeling the anionic polymerization of styrene is presented. By using this solution, a new method for calculating the initiation rate constant for this polymerization process was developed.     

Survey on thermodynamic properties for the complexation behaviour of some calixarene and cucurbituril receptors

Some aspects of the complex formation reaction between amino acids, short peptides, and nucleobases with calixarenes and cucurbiturils in solution are presented. A brief survey of their stability constants, enthalpies, and entropies data obtained by different techniques in various solvents is reported, along with the ability of these receptors to be employed as carriers through liquid membrane in view of separating biological compounds.     

A thermo-fluid analysis in magnetic hyperthermia

In the last years, hyperthermia induced by the heating of magnetic nanoparticles （MNPs） in an alternating magnetic field received considerable attention in cancer therapy. The thermal effects could be automatically controlled by using MNPs with selective magnetic absorption properties. In this paper, we analyze the temperature field determined by the heating of MNPs, injected in a malignant tissue, subjected to an alternating magnetic field. The main parameters which have a strong influence on temperature field are analyzed. The temperature evolution within healthy and tumor tissues are analyzed by finite element method （FEM） simulations in a thermo-fluid model. The cooling effect produced by blood flow in blood vessels from the tumor is considered. A thermal analysis is conducted under different distributions of MNP injection sites. The interdependence between the optimum dose of the nanoparticles and various types of tumors is investigated in order to understand their thermal effect on hyperthermia therapy. The control of the temperature field in the tumor and healthy tissues is an important step in the healing treatment.