Overtones of the Si−H Stretching−Bending Polyad in SiHD₃: Internal Coordinate Force Field, ab initio Dipole Moment Surfaces, and Band Intensities

Overtones of the Si−H stretching−bending polyad of the SiHD3 molecule are studied using an internal coordinate force field model. The potential parameters are optimized by fitting to the experimental band centers. The Fermi resonance between the Si−H stretching and bending motions is insignificant due to cancellation of the contributions from kinetic and potential terms. This suggests a slow redistribution of vibrational energy between these two degrees of freedom and induces local mode character of respective vibrations. Band intensities are calculated by using ab initio one- and three-dimensional dipole moment surfaces (DMS). These agree reasonably well with the observations. The successful reproduction of relative intensities between the (n1 − 1)ʋ1 + 2ʋ5 stretching−bending combination bands and the n1ʋ1 stretching bands establishes the importance of the bending motion in the multidimensional DMS for intensity investigations

Millimeter-Wave Spectra, ab Initio Calculations, and Structures of Fluorophosphane and Chlorophosphane

The structures of fluorophosphane, PH2F, and chlorophosphane, PH2Cl, have been calculated ab initio at the SCF, MP2, CCSD, and CCSD(T) levels using a quadruple ζ polarized basis set. Equilibrium and ground state rotational constants as well as centrifugal distortion constants have been predicted for several isotopomers of PH2F and PH2Cl. Theoretical CCSD(T) geometries were also determined for the series of PHnX3-n (X = F, Cl; n = 0−3) molecules using a triple ζ polarized basis set. The millimeter-wave spectra of the short-lived molecules PH2F, PH2Cl, and their perdeuterated species were measured in the frequency range 100−470 GHz. For PH2F and PH2Cl, accurate ground state parameters have been obtained by a combined fit of the millimeter-wave data and the infrared ground state combination differences. The ro, rz, and re structures of PH2F and PH2Cl, as well as PH3, PCl3, and PHF2 have been determined. The experimental results are found in excellent agreement with their ab initio predictions

Reconciling the interests of the economic diversification participants in a single-industry town

Рассматриваются проблемы согласования интересов участников процесса диверсификации экономики моногорода в процессе управления развитием моногорода на основе реализации стратегии диверсификации. Целью исследования является разработка инструментов гармонизации интересов участников процесса диверсификации экономики моногорода на основе разработки модели полного согласования интересов и сопоставления ее с моделью отдельно взятого моногорода. Методы исследования: системный подход, анализ и синтез, построение множеств согласования интересов с применением диаграммы Эйлера-Венна, методы комбинаторики, построение экономических показателей и рядов динамики, графический метод представления результатов и построения иерархии согласования интересов. Результаты исследования. Представлена модель полного согласования интересов различных групп лиц, в которой отражены сферы возможного пересечения интересов, а также иерархия числа согласуемых интересов. Предложены основные группы участников процесса диверсификации моногорода, а также разграничено понятие участника и роли (функции) участника в данном процессе. Обосновано и определено число множеств в зависимости от числа участников, чьи интересы одновременно согласуются, на примере моногорода Калтан Кемеровской области. На основе предложенной модели построена модель согласования интересов на примере моногорода Калтана. Полученная модель имеет трапециевидную форму, что свидетельствует о достаточно небольшом числе общих согласуемых интересов. Автор приходит к выводу, что в моногороде сформирован треугольник интересов «администрация города - малый бизнес в роли инвестора - вуз», представляющий основу в иерархии согласования интересов моногорода Калтан. Центральное положение при согласовании интересов с прочими участниками занимает исключительно администрация города. На основе данных выводов внесены предложения по направлениям дальнейшего согласования интересов на примере рассматриваемого моногорода.The article explores the problems of reconciling the interests of single-industry towns, a need that arises from the entire process of industry development management through a diversification strategy. The aim of this study is to develop tools to harmonize the interests of the single-industry towns, based on a model of full harmonization with the model of an individual single-industry town. Methods of the research: system approach, analysis and synthesis, building a set of harmonized interests with the application of the Eulerian-Venn diagram, combinatorics methods, construction of economic indicators and series of dynamics, graphical method of presentation of results and building the hierarchy of interests. Results of the study. The paper introduces the model for fully reconciling the interests of different groups of persons, reflecting the areas of possible intersecting interests and the hierarchy of the number of interests involved. The article proposes the main groups of participants in the diversification process and the differentially concept of participant and the role (function) of the participant in the diversification process. The author justifies and estimates the number of sets depending on the number of participants whose interests are concurrently reconciled in Kaltan case study. The proposed model is used for Kaltan, Kemerovo region case study. The result ing model is of a trapezoidal form, which indicates that there are quite a few common consenting interests. The author concludes that a triangle of interests «city administration - small business as investor - university» is formed. This triangle represents the highest level of harmonization of interests in the hierarchy. The city administration is in central position in reconciling interests with other participants. By the example of the considered single-industry town and based on these findings the suggestion on further harmonization of interests was made

Dynamics of Competitive Evolution on a Smooth Landscape

We study competitive DNA sequence evolution directed by {\it in vitro} protein binding. The steady-state dynamics of this process is well described by a shape-preserving pulse which decelerates and eventually reaches equilibrium. We explain this dynamical behavior within a continuum mean-field framework. Analytical results obtained on the motion of the pulse agree with simulations. Furthermore, finite population correction to the mean-field results are found to be insignificant.Comment: 4 pages, 2 figures, revised, to appear in Phys. Rev. Let

Transport in ZnCoO thin films with stable bound magnetic polarons

Diluted magnetic ZnCoO films with 5 at.% Co have been fabricated by pulsed laser deposition on c-plane sapphire substrates and Schottky and Ohmic contacts have been prepared in top-top configuration. The diode current is significantly reduced after the diode has been subjected to an external magnetic field. In the reverse bias range the corresponding positive magnetoresistance is persistent and amounts to more than 1800% (50 K), 240% (30 K), and 50% (5 K). This huge magnetoresistance can be attributed to the large internal magnetic field in depleted ZnCoO with ferromagnetic exchange between stable bound magnetic polarons

Theta-gamma cross-frequency transcranial alternating current stimulation over the trough impairs cognitive control

Cognitive control is a mental process, which underlies adaptive goal-directed decisions. Previous studies have linked cognitive control to electrophysiological fluctuations in the theta band and theta-gamma cross-frequency coupling (CFC) arising from the cingulate and frontal cortices. Yet, to date the behavioral consequences of different forms of theta-gamma CFC remain elusive. Here, we studied the behavioral effects of the theta-gamma CFC via transcranial alternating current stimulation (tACS) designed to stimulate the frontal and cingulate cortices in humans. Using a double-blind, randomized, repeated measures study design, 24 healthy participants were subjected to three active and one control CFC-tACS conditions. In the active conditions, 80 Hz gamma tACS was coupled to 4 Hz theta tACS. Specifically, in two of the active conditions, short gamma bursts were coupled to the delivered theta cycle to coincide with either its peaks or troughs. In the third active condition, the phase of a theta cycle modulated the amplitude of the gamma oscillation. In the fourth, control protocol, 80 Hz tACS was continuously superimposed over the 4 Hz tACS, therefore lacking any phase-specificity in the CFC. During the 20-minute of stimulation, the participants performed a Go/NoGo monetary reward- and punishment-based instrumental learning task. A Bayesian hierarchical logistic regression analysis revealed that relative to the control, the peak-coupled tACS had no effects on the behavioral performance, whereas the trough-coupled tACS and, to a lesser extent, amplitude-modulated tACS reduced performance in conflicting trials. Our results suggest that cognitive control depends on the phase-specificity of the theta-gamma CFC

The effect of a regional increase in ocean surface roughness on the tropospheric circulation: a GCM experiment

The sensitivity of the atmospheric circulation to an increase in ocean surface roughness in the Southern Hemisphere storm track is investigated in a paired general circulation model experiment. Such a change in sea roughness could be induced by ocean waves generated by storms. Two extended permanent-July runs are made. One with standard sea surface roughness, the other with ten times as a large surface roughness over open sea poleward of 40-degrees-S. The regional increase in ocean surface roughness significantly modifies the tropospheric circulation in the Southern Hemisphere. The strongest effect is the reduction of tropospheric winds (by 2 m/s or 100%) above the area with increased roughness. The poleward eddy momentum flux is reduced in the upper troposphere and the meridional eddy sensible heat flux is reduced in the lower troposphere. Zonal mean and eddy kinetic energy are consistently reduced