Quantum-Chemical Modelling of the Reaction of the Metcar Ti8C12 with a Chlorine Molecule

The electronic structure of the adducts of the metallocarbohedrene Ti₈C₁₂ with chlorine (Ti₈C₁₂Cl₂ and Ti₈C₁₂Cl) was calculated by the nonempirical electron density functional method with discrete variation. The conditions for the reaction of Cl₂ with the metcar and the mechanism of destruction of the addend are discussed on the basis of analysis of the electronic states, the charge distributions, and the parameters of the chemical bond.     

Recombination processes in atomic clusters irradiated by superintense femtosecond laser pulses

Various mechanisms of recombination of electrons with multiply charged atomic ions in atomic clusters irradiated by superintense femtosecond laser pulses are discussed. All of the recombination mechanisms are shown to take a time considerably longer than the laser pulse duration and, hence, they can develop only in a homogeneous, fairly rarefied cluster plasma after pulse termination. All autoionization states of multiply charged ions in a dense cluster plasma have been found to be destroyed by the Holtsmark electric field.     

Quantum-chemical modeling of the electronic structure and chemical bonding in yttrium dicarbide with orientational disordering of C2 dimers

We have investigated the electronic structure and chemical bonding in yttrium dicarbide. We have constructed a quantum-chemical model for the effect of orientational disordering of the C₂ units within the YC₂ structure on its electronic properties. We have established that the conduction properties of the dicarbide may vary from metallic to semiconductor type, depending on the relative orientation of the C₂ dimers within the lattice. Institute of Solid State Chemistry, Ural Branch, Russian Academy of Sciences, 91 Pervomaiskaya ul., Ekaterinburg 620219, Russia. Translated from Teoreticheskaya i éksperimental'naya Khimiya, Vol. 36, No. 4, pp. 206–212, July–August, 2000.     

An optimal sequential procedure for a multiple selling problem with independent observations

We consider a sequential problem of selling K identical assets over the finite time horizon with a fixed number of offers per time period and no recall of past offers. The objective is to find an optimal sequential procedure which maximizes the total expected revenue. In this paper, we derive an effective number of stoppings for an optimal sequential procedure for the selling problem with independent observations.     

An Optimal Double Stopping Rule for a Buying-Selling Problem

Methodology and Computing in Applied Probability - We consider a buying-selling problem with a finite time horizon when two stops of a sequence of dependent observations can be made. The aim is to...     

Diffusion of a megagauss field into a metal

The plane one-dimensional problem of the diffusion of a megagauss field into a metal wall is solved taking into account heat conduction and radiation transfer. At the interface, the magnetic field is assumed to be constant, and in this sense, the problem is close to the self-similar diffusion problem with parameters dependent on the self-similar variable x/ . It is shown that if heat conduction and radiation transfer are taken into account, in megagauss fields (in the examined formulation for fields B > 1.6 MGs) there is no loss of conductivity of the material evaporated by the magnetic field because of the formation of a plasma layer at the interface with a temperature in the electronvolt range. However, the role of the plasma layer in the structure of the skin layer remains insignificant up to fields B 10 MGs.Translated from Prikladnaya Mekhanika I Tekhnicheskaya Fizika, Vol. 46, No. 2, pp. 5–12, March–April, 2005.