Adsorption of some phosphorus oxy anions on copper

Conclusions The radioactive isotope method was used to study the adsorption of various anions of phosphoric, phosphorous, and hypophosphorous acids on negatively and positively charged copper, and it was shown that the corresponding adsorption values change oppositely to the sums of the absolute values of the charges of all of the atoms of the anion, which were calculated by the CNDO/2 method.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 9, pp. 2121–2124, September, 1977.     

Electronic spectra and structure of conjugate acids of carbonyl derivatives of pyrrole

The nature of the ^* transitions in the spectra of neutral molecules of - and -formyl-, acetyl-, and -carbomethoxypyrroles above 210 nm was examined on the basis of an experimental study and calculation by the Pariser-Parr-Pople (PPP) configuration interaction (CI) method. The effect of protonation on the position and intensity of the monotypic transitions was studied. The electronic structures and the energies of the neutral and all of the theoretically possible protonated forms of and -formylpyrroles were calculated within the framework of the CNDO/2 (complete neglect of differential overlap) method. The results of the calculations are in agreement with the experimental data and are in conformity with the greatest energetic advantageousness of protonation of these compounds at the oxygen atom of the carbonyl group.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 9, pp. 1221–1228, September, 1977.     

Correlation between basicity and quantum chemical indices of some aliphatic amines

Conclusions The change in the pK values of solutions of aliphatic amines (C₂H₅)₂NCH₂CH₂X in acetic acid is linear and opposite to the change in the energies of the upper filled molecular orbitals, which were calculated by the CNDO/2 method.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 8, pp. 1908–1909, August, 1979.The authors are indebted to L. A. Piruzyan for his constant interest in the work.     

Long time missions and the fuel-optimal attitude maneuvering in a swinging mode

The problem of fuel-optimal attitude maneuvering of a space vehicle (SV) with non-fixed time is considered. The state constraint related to the maintenance of artificial gravitation is imposed. This problem is especially important for long-time space missions. The attitude of the space vehicle is controlled by means of a pair of reactive engines which produce a single control torque with fixed direction in the body-fixed frame. An optimal solution is obtained in the class of trajectories belonging to “swinging mode” two-periodic sliding cycling regimes. The solution is found in analytical form and optimal synthesis is obtained. The short conference version of this paper was published in Proceedings of the IFAC Workshop GSCP-04, Pereyslavl-Zalessky, Russia, September 21–29, 2004. This paper was presented as an invited lecture at the International Conference on Control and Optimization in honor of Professor Boris Polyak, Institute of Control Science RAN, Russia, Moscow, May 19–20, 2005.     

Minimum Mixed Time–Energy Trajectory Planning of a Nonlinear Vehicle Subject to 2D Disturbances

Journal of Optimization Theory and Applications - The problem of a planar vehicle moving on a surface, such as aerial drones or small naval vessels, can be treated as a series of trajectory...     

On Energy-Optimal and Time-Optimal Precise Displacement of Rigid Body with Friction

Minimal time optimality and minimal energy optimality are usually considered as competing approaches for the trajectory planning for the precise movement of a rigid body. Theoretical and simulation results show that, with appropriate choice of constraints, these approaches are equivalent in the sense that they produce the same trajectory. This trajectory is globally optimal for both objectives. Constraints for velocity, driving force and jerk are taken into account. The model includes Coulomb and viscous friction. The optimal control solver was used as a numerical tool.     

Electronic structure of silanes in the semi-empirical equivalent orbital method

The problem of the prediction of the valence IPs for silanes is considered. It is shown that the data on the silicon band structure combined with the photoelectron spectra of SiH₄, and Si₂H₆ permit to obtain the parameter scale, which includes all the nearest neighbour, second neighbour and the main third neighbour interaction parameters. Using the derived parameter scale the vertical ionization potentials of Si₃H₈, SiH(SiH₃)₃, Si(SiH₃)₄, the infinite polysilane valence band structure and the inner a _1g level for disilane are calculated. All the calculated levels are located above ? 20 eV and are expected to be measurable by the He (I) photoelectron spectroscopy.