1,451 research outputs found
Overtones of the SiβH StretchingβBending Polyad in SiHD<sub>3</sub>: Internal Coordinate Force Field, ab initio Dipole Moment Surfaces, and Band Intensities
Overtones of the SiβH stretchingβbending 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 SiβH 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 β 1)Κ1 + 2Κ5 stretchingβbending combination bands and the n1Κ1 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 ΞΆ 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 = 0β3) molecules using a triple ΞΆ polarized basis set. The millimeter-wave spectra of the short-lived molecules PH2F, PH2Cl, and their perdeuterated species were measured in the frequency range 100β470 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
Π Π°ΡΡΠΌΠ°ΡΡΠΈΠ²Π°ΡΡΡΡ ΠΏΡΠΎΠ±Π»Π΅ΠΌΡ ΡΠΎΠ³Π»Π°ΡΠΎΠ²Π°Π½ΠΈΡ ΠΈΠ½ΡΠ΅ΡΠ΅ΡΠΎΠ² ΡΡΠ°ΡΡΠ½ΠΈΠΊΠΎΠ² ΠΏΡΠΎΡΠ΅ΡΡΠ° Π΄ΠΈΠ²Π΅ΡΡΠΈΡΠΈΠΊΠ°ΡΠΈΠΈ ΡΠΊΠΎΠ½ΠΎΠΌΠΈΠΊΠΈ ΠΌΠΎΠ½ΠΎΠ³ΠΎΡΠΎΠ΄Π° Π² ΠΏΡΠΎΡΠ΅ΡΡΠ΅ ΡΠΏΡΠ°Π²Π»Π΅Π½ΠΈΡ ΡΠ°Π·Π²ΠΈΡΠΈΠ΅ΠΌ ΠΌΠΎΠ½ΠΎΠ³ΠΎΡΠΎΠ΄Π° Π½Π° ΠΎΡΠ½ΠΎΠ²Π΅ ΡΠ΅Π°Π»ΠΈΠ·Π°ΡΠΈΠΈ ΡΡΡΠ°ΡΠ΅Π³ΠΈΠΈ Π΄ΠΈΠ²Π΅ΡΡΠΈΡΠΈΠΊΠ°ΡΠΈΠΈ. Π¦Π΅Π»ΡΡ ΠΈΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π½ΠΈΡ ΡΠ²Π»ΡΠ΅ΡΡΡ ΡΠ°Π·ΡΠ°Π±ΠΎΡΠΊΠ° ΠΈΠ½ΡΡΡΡΠΌΠ΅Π½ΡΠΎΠ² Π³Π°ΡΠΌΠΎΠ½ΠΈΠ·Π°ΡΠΈΠΈ ΠΈΠ½ΡΠ΅ΡΠ΅ΡΠΎΠ² ΡΡΠ°ΡΡΠ½ΠΈΠΊΠΎΠ² ΠΏΡΠΎΡΠ΅ΡΡΠ° Π΄ΠΈΠ²Π΅ΡΡΠΈΡΠΈΠΊΠ°ΡΠΈΠΈ ΡΠΊΠΎΠ½ΠΎΠΌΠΈΠΊΠΈ ΠΌΠΎΠ½ΠΎΠ³ΠΎΡΠΎΠ΄Π° Π½Π° ΠΎΡΠ½ΠΎΠ²Π΅ ΡΠ°Π·ΡΠ°Π±ΠΎΡΠΊΠΈ ΠΌΠΎΠ΄Π΅Π»ΠΈ ΠΏΠΎΠ»Π½ΠΎΠ³ΠΎ ΡΠΎΠ³Π»Π°ΡΠΎΠ²Π°Π½ΠΈΡ ΠΈΠ½ΡΠ΅ΡΠ΅ΡΠΎΠ² ΠΈ ΡΠΎΠΏΠΎΡΡΠ°Π²Π»Π΅Π½ΠΈΡ Π΅Π΅ Ρ ΠΌΠΎΠ΄Π΅Π»ΡΡ ΠΎΡΠ΄Π΅Π»ΡΠ½ΠΎ Π²Π·ΡΡΠΎΠ³ΠΎ ΠΌΠΎΠ½ΠΎΠ³ΠΎΡΠΎΠ΄Π°. ΠΠ΅ΡΠΎΠ΄Ρ ΠΈΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π½ΠΈΡ: ΡΠΈΡΡΠ΅ΠΌΠ½ΡΠΉ ΠΏΠΎΠ΄Ρ
ΠΎΠ΄, Π°Π½Π°Π»ΠΈΠ· ΠΈ ΡΠΈΠ½ΡΠ΅Π·, ΠΏΠΎΡΡΡΠΎΠ΅Π½ΠΈΠ΅ ΠΌΠ½ΠΎΠΆΠ΅ΡΡΠ² ΡΠΎΠ³Π»Π°ΡΠΎΠ²Π°Π½ΠΈΡ ΠΈΠ½ΡΠ΅ΡΠ΅ΡΠΎΠ² Ρ ΠΏΡΠΈΠΌΠ΅Π½Π΅Π½ΠΈΠ΅ΠΌ Π΄ΠΈΠ°Π³ΡΠ°ΠΌΠΌΡ ΠΠΉΠ»Π΅ΡΠ°-ΠΠ΅Π½Π½Π°, ΠΌΠ΅ΡΠΎΠ΄Ρ ΠΊΠΎΠΌΠ±ΠΈΠ½Π°ΡΠΎΡΠΈΠΊΠΈ, ΠΏΠΎΡΡΡΠΎΠ΅Π½ΠΈΠ΅ ΡΠΊΠΎΠ½ΠΎΠΌΠΈΡΠ΅ΡΠΊΠΈΡ
ΠΏΠΎΠΊΠ°Π·Π°ΡΠ΅Π»Π΅ΠΉ ΠΈ ΡΡΠ΄ΠΎΠ² Π΄ΠΈΠ½Π°ΠΌΠΈΠΊΠΈ, Π³ΡΠ°ΡΠΈΡΠ΅ΡΠΊΠΈΠΉ ΠΌΠ΅ΡΠΎΠ΄ ΠΏΡΠ΅Π΄ΡΡΠ°Π²Π»Π΅Π½ΠΈΡ ΡΠ΅Π·ΡΠ»ΡΡΠ°ΡΠΎΠ² ΠΈ ΠΏΠΎΡΡΡΠΎΠ΅Π½ΠΈΡ ΠΈΠ΅ΡΠ°ΡΡ
ΠΈΠΈ ΡΠΎΠ³Π»Π°ΡΠΎΠ²Π°Π½ΠΈΡ ΠΈΠ½ΡΠ΅ΡΠ΅ΡΠΎΠ². Π Π΅Π·ΡΠ»ΡΡΠ°ΡΡ ΠΈΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π½ΠΈΡ. ΠΡΠ΅Π΄ΡΡΠ°Π²Π»Π΅Π½Π° ΠΌΠΎΠ΄Π΅Π»Ρ ΠΏΠΎΠ»Π½ΠΎΠ³ΠΎ ΡΠΎΠ³Π»Π°ΡΠΎΠ²Π°Π½ΠΈΡ ΠΈΠ½ΡΠ΅ΡΠ΅ΡΠΎΠ² ΡΠ°Π·Π»ΠΈΡΠ½ΡΡ
Π³ΡΡΠΏΠΏ Π»ΠΈΡ, Π² ΠΊΠΎΡΠΎΡΠΎΠΉ ΠΎΡΡΠ°ΠΆΠ΅Π½Ρ ΡΡΠ΅ΡΡ Π²ΠΎΠ·ΠΌΠΎΠΆΠ½ΠΎΠ³ΠΎ ΠΏΠ΅ΡΠ΅ΡΠ΅ΡΠ΅Π½ΠΈΡ ΠΈΠ½ΡΠ΅ΡΠ΅ΡΠΎΠ², Π° ΡΠ°ΠΊΠΆΠ΅ ΠΈΠ΅ΡΠ°ΡΡ
ΠΈΡ ΡΠΈΡΠ»Π° ΡΠΎΠ³Π»Π°ΡΡΠ΅ΠΌΡΡ
ΠΈΠ½ΡΠ΅ΡΠ΅ΡΠΎΠ². ΠΡΠ΅Π΄Π»ΠΎΠΆΠ΅Π½Ρ ΠΎΡΠ½ΠΎΠ²Π½ΡΠ΅ Π³ΡΡΠΏΠΏΡ ΡΡΠ°ΡΡΠ½ΠΈΠΊΠΎΠ² ΠΏΡΠΎΡΠ΅ΡΡΠ° Π΄ΠΈΠ²Π΅ΡΡΠΈΡΠΈΠΊΠ°ΡΠΈΠΈ ΠΌΠΎΠ½ΠΎΠ³ΠΎΡΠΎΠ΄Π°, Π° ΡΠ°ΠΊΠΆΠ΅ ΡΠ°Π·Π³ΡΠ°Π½ΠΈΡΠ΅Π½ΠΎ ΠΏΠΎΠ½ΡΡΠΈΠ΅ ΡΡΠ°ΡΡΠ½ΠΈΠΊΠ° ΠΈ ΡΠΎΠ»ΠΈ (ΡΡΠ½ΠΊΡΠΈΠΈ) ΡΡΠ°ΡΡΠ½ΠΈΠΊΠ° Π² Π΄Π°Π½Π½ΠΎΠΌ ΠΏΡΠΎΡΠ΅ΡΡΠ΅. ΠΠ±ΠΎΡΠ½ΠΎΠ²Π°Π½ΠΎ ΠΈ ΠΎΠΏΡΠ΅Π΄Π΅Π»Π΅Π½ΠΎ ΡΠΈΡΠ»ΠΎ ΠΌΠ½ΠΎΠΆΠ΅ΡΡΠ² Π² Π·Π°Π²ΠΈΡΠΈΠΌΠΎΡΡΠΈ ΠΎΡ ΡΠΈΡΠ»Π° ΡΡΠ°ΡΡΠ½ΠΈΠΊΠΎΠ², ΡΡΠΈ ΠΈΠ½ΡΠ΅ΡΠ΅ΡΡ ΠΎΠ΄Π½ΠΎΠ²ΡΠ΅ΠΌΠ΅Π½Π½ΠΎ ΡΠΎΠ³Π»Π°ΡΡΡΡΡΡ, Π½Π° ΠΏΡΠΈΠΌΠ΅ΡΠ΅ ΠΌΠΎΠ½ΠΎΠ³ΠΎΡΠΎΠ΄Π° ΠΠ°Π»ΡΠ°Π½ ΠΠ΅ΠΌΠ΅ΡΠΎΠ²ΡΠΊΠΎΠΉ ΠΎΠ±Π»Π°ΡΡΠΈ. ΠΠ° ΠΎΡΠ½ΠΎΠ²Π΅ ΠΏΡΠ΅Π΄Π»ΠΎΠΆΠ΅Π½Π½ΠΎΠΉ ΠΌΠΎΠ΄Π΅Π»ΠΈ ΠΏΠΎΡΡΡΠΎΠ΅Π½Π° ΠΌΠΎΠ΄Π΅Π»Ρ ΡΠΎΠ³Π»Π°ΡΠΎΠ²Π°Π½ΠΈΡ ΠΈΠ½ΡΠ΅ΡΠ΅ΡΠΎΠ² Π½Π° ΠΏΡΠΈΠΌΠ΅ΡΠ΅ ΠΌΠΎΠ½ΠΎΠ³ΠΎΡΠΎΠ΄Π° ΠΠ°Π»ΡΠ°Π½Π°. ΠΠΎΠ»ΡΡΠ΅Π½Π½Π°Ρ ΠΌΠΎΠ΄Π΅Π»Ρ ΠΈΠΌΠ΅Π΅Ρ ΡΡΠ°ΠΏΠ΅ΡΠΈΠ΅Π²ΠΈΠ΄Π½ΡΡ ΡΠΎΡΠΌΡ, ΡΡΠΎ ΡΠ²ΠΈΠ΄Π΅ΡΠ΅Π»ΡΡΡΠ²ΡΠ΅Ρ ΠΎ Π΄ΠΎΡΡΠ°ΡΠΎΡΠ½ΠΎ Π½Π΅Π±ΠΎΠ»ΡΡΠΎΠΌ ΡΠΈΡΠ»Π΅ ΠΎΠ±ΡΠΈΡ
ΡΠΎΠ³Π»Π°ΡΡΠ΅ΠΌΡΡ
ΠΈΠ½ΡΠ΅ΡΠ΅ΡΠΎΠ². ΠΠ²ΡΠΎΡ ΠΏΡΠΈΡ
ΠΎΠ΄ΠΈΡ ΠΊ Π²ΡΠ²ΠΎΠ΄Ρ, ΡΡΠΎ Π² ΠΌΠΎΠ½ΠΎΠ³ΠΎΡΠΎΠ΄Π΅ ΡΡΠΎΡΠΌΠΈΡΠΎΠ²Π°Π½ ΡΡΠ΅ΡΠ³ΠΎΠ»ΡΠ½ΠΈΠΊ ΠΈΠ½ΡΠ΅ΡΠ΅ΡΠΎΠ² Β«Π°Π΄ΠΌΠΈΠ½ΠΈΡΡΡΠ°ΡΠΈΡ Π³ΠΎΡΠΎΠ΄Π° - ΠΌΠ°Π»ΡΠΉ Π±ΠΈΠ·Π½Π΅Ρ Π² ΡΠΎΠ»ΠΈ ΠΈΠ½Π²Π΅ΡΡΠΎΡΠ° - Π²ΡΠ·Β», ΠΏΡΠ΅Π΄ΡΡΠ°Π²Π»ΡΡΡΠΈΠΉ ΠΎΡΠ½ΠΎΠ²Ρ Π² ΠΈΠ΅ΡΠ°ΡΡ
ΠΈΠΈ ΡΠΎΠ³Π»Π°ΡΠΎΠ²Π°Π½ΠΈΡ ΠΈΠ½ΡΠ΅ΡΠ΅ΡΠΎΠ² ΠΌΠΎΠ½ΠΎΠ³ΠΎΡΠΎΠ΄Π° ΠΠ°Π»ΡΠ°Π½. Π¦Π΅Π½ΡΡΠ°Π»ΡΠ½ΠΎΠ΅ ΠΏΠΎΠ»ΠΎΠΆΠ΅Π½ΠΈΠ΅ ΠΏΡΠΈ ΡΠΎΠ³Π»Π°ΡΠΎΠ²Π°Π½ΠΈΠΈ ΠΈΠ½ΡΠ΅ΡΠ΅ΡΠΎΠ² Ρ ΠΏΡΠΎΡΠΈΠΌΠΈ ΡΡΠ°ΡΡΠ½ΠΈΠΊΠ°ΠΌΠΈ Π·Π°Π½ΠΈΠΌΠ°Π΅Ρ ΠΈΡΠΊΠ»ΡΡΠΈΡΠ΅Π»ΡΠ½ΠΎ Π°Π΄ΠΌΠΈΠ½ΠΈΡΡΡΠ°ΡΠΈΡ Π³ΠΎΡΠΎΠ΄Π°. ΠΠ° ΠΎΡΠ½ΠΎΠ²Π΅ Π΄Π°Π½Π½ΡΡ
Π²ΡΠ²ΠΎΠ΄ΠΎΠ² Π²Π½Π΅ΡΠ΅Π½Ρ ΠΏΡΠ΅Π΄Π»ΠΎΠΆΠ΅Π½ΠΈΡ ΠΏΠΎ Π½Π°ΠΏΡΠ°Π²Π»Π΅Π½ΠΈΡΠΌ Π΄Π°Π»ΡΠ½Π΅ΠΉΡΠ΅Π³ΠΎ ΡΠΎΠ³Π»Π°ΡΠΎΠ²Π°Π½ΠΈΡ ΠΈΠ½ΡΠ΅ΡΠ΅ΡΠΎΠ² Π½Π° ΠΏΡΠΈΠΌΠ΅ΡΠ΅ ΡΠ°ΡΡΠΌΠ°ΡΡΠΈΠ²Π°Π΅ΠΌΠΎΠ³ΠΎ ΠΌΠΎΠ½ΠΎΠ³ΠΎΡΠΎΠ΄Π°.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 Β«city administration - small business as investor - universityΒ» 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
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