نتایج جستجو برای: density of state
تعداد نتایج: 21239946 فیلتر نتایج به سال:
an analytical equation of state (eos) developed by ihm-song-mason (ism) has been applied tocalculate some thermophysical properties of molten polymers including poly (1-octene) (po), poly (vinylmethyl ether) (pvme), poly (vinyl chloride) (pvc), and poly (styrene) (ps). three temperature-dependentparameters of the ism eos have been determined based on the alternative scaling constants, dispersiv...
in the present work, we have obtained the equation of state for neutron star matter considering the in uence of the ferromagnetic and antiferromagnetic spin state. we have also investigated the structure of neutron stars. according to our results, the spin asymmetry stiens the equation of state and leads to high mass for the neutron star.
graphite oxide constitutes carbon network with oxygen atoms both on hexagonal arrangement and the edge sites. structural and electronic properties for graphite-oxygen complexes have been explored using first-principles total-energy calculations within the local density approximation (lda). band structures and density of states for the propose carbon 3d models are reported. a finite energy gap and...
in this work, we investigated the stability of molybdate-phosphonic acid (mpa) complex by density functionaltheory (dft) computations in six solvents with the dielectric constant ranging from 1.92 to 10.36. the methodsare used for calculations are b3lyp and b3pw9 i that have been studied in two series of basis sets: d95nand6-31+g (d,p) for hydrogen and oxygen atoms; lanl2dz for mo and phosphoru...
the hydrogen abstraction reaction of oh radical with ch3ch2ocf2chf2 (hfe-374pc2) is investigated theoretically by semi-classical transition state theory. the stationary points on the potential energy surface of the reaction are located by using kmlyp density functional method along with 6-311++g(d,p) basis set. vibrational anharmonicity coefficients, xij, required for semi-classical transition ...
In this research, structural and electronic properties of ZnCdn-1Ten clusters (n=1-10) have been studied by formalism of density functional theory and using the projector augmented wave within local density approximation. The structural properties (such as bond length/angle and coordination number), electronic and optical properties (such as binding energy, Kohn-Sham spect...
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 ...
The confluence of major theoretical, experimental, and observational advances are providing a unique perspective on the equation state dense neutron-rich matter—particularly its symmetry energy—and imprint mass-radius relation for neutron stars. In this contribution, we organize these developments in an density ladder. Of particular relevance to discussion impact various rungs identification po...
Let $S$ be a dense subsemigroup of $(0,+infty)$. In this paper, we state definition of thick near zero, and also we will introduce a definition that is equivalent to the definition of piecewise syndetic near zero which presented by Hindman and Leader in [6]. We define density near zero for subsets of $S$ by a collection of nonempty finite subsets of $S$ and we investigate the conditions un...
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 ...
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