We study the manganese oxides from the viewpoint of the strongly correlated doped Mott insulator. The magnetic ordering and the charge transport are governed by the orbital degrees of freedom, and their dimensionality is controlled by the anisotropic transfer integrals between the eg orbitals. As x increases the magnetic structure is predicted to change as A → F → A → C → G ( F : ferromagnet, A...

Quantum mechanical methods based on the density functional theory (DFT) offer a realistic possibility of first-principles design of organic donor-acceptor systems and engineered band gap materials. This promise is contingent upon the ability of DFT to predict one-particle states accurately. Unfortunately, approximate functionals fail to align the orbital energies with ionization potentials. We ...

Density functional theory dispersion corrected (DFT-D3)calculations and molecular dynamic (MD) simulation were applied to investigate the sensing ability of four types of receptors (RCs) composed of the ortho-phenylenediamine based bis-ureas for selective complexation with the anions such as Cl–, Br–, OAC–, PhCO2–, H2PO4– and HSO4– in the gas phase and DMSO. On the basis of the data obtained fr...

It is shown that owing to a dominance of np−pair transfer mechanism of backward elastic p Hescattering for incident proton kinetic energies Tp > 1 GeV the cross section of this process is defined mainly by the values of the Faddeev component of the wave function of He nucleus, φ(q23,p1), at high relative momenta q23 > 0.6GeV/c of the NN-pair in the S0− state and at low spectator momenta p1 ∼ 0−...

The paper discusses the coupled attitude-orbit dynamics and control of an electric-sail-based spacecraft in a heliocentric transfer mission. The mathematical model characterizing the propulsive thrust is first described as a function of the orbital radius and the sail angle. Since the solar wind dynamic pressure acceleration is induced by the sail attitude, the orbital and attitude dynamics of ...

Context. It is widely accepted that the large obliquity of Uranus is the result of a great tangential collision (GC) with an Earth size proto-planet at the end of the accretion process. The impulse imparted by the GC affected the Uranian satellite system. Nine irregular satellites (irregulars) have been discovered around Uranus. Their orbital and physical properties, in particular those of the ...

orbital lynphangioma is a low-flow or no-flow vascular malformation. it is a congenital and isolated hemodynamic lesion in which the clinical presentation and onset are related to orbital, peri-orbital or intracranial involvement. in addition, history of previous trauma and upper respiratory tract infection are important predictor factors. high resolution mri, doppler ultrasound and ct-scan are...

In this paper, a quaternion-based finite-time sliding mode attitude controller is designed for a spacecraft performing high-thrust orbital maneuvers, with cold gas thrusters as its actuators. The proposed controller results are compared with those of a quaternion feedback controller developed for the linearized spacecraft dynamics, in terms of settling time, steady-state error, number of thrust...

In this study interaction of phenothiazine sulfur dye with (5, 5) armchair open-end boron nitride nanotubes (BNNTs) in interaction (with a length of 7 Å) was investigated. The impacts of the estereoelectronic effect associated with donor-acceptor electron delocalizations, dipole-dipole interactions and total steric exchange energies on the structural and electronic properties and reactivity of ...